1810059-82-5 (C20H26N6O2)

Structural Information

Molecular Formula

SMILES

C[C@H]([C@@H]1CC(=O)NC1)OC2=NC(=CC3=NN(C=C32)C)C4=CN(N=C4)C(C)(C)C

InChI

InChI=1S/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/m1/s1

InChIKey

RHKFNBPBFDOJOE-CHWSQXEVSA-N

Compound name

(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.219006	195.1
[M+Na]+	405.200948	203.9
[M-H]-	381.204454	199.3
[M+NH4]+	400.245553	204.8
[M+K]+	421.174888	199.1
[M+H-H2O]+	365.208990	185.7
[M+HCOO]-	427.209931	207.9
[M+CH3COO]-	441.225581	203.7
[M+Na-2H]-	403.186396	190.8
[M]+	382.21118142	197.8
[M]-	382.21227858	197.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.219006

195.1

[M+Na]+

405.200948

203.9

[M-H]-

381.204454

199.3

[M+NH4]+

400.245553

204.8

[M+K]+

421.174888

199.1

[M+H-H2O]+

365.208990

185.7

[M+HCOO]-

427.209931

207.9

[M+CH3COO]-

441.225581

203.7

[M+Na-2H]-

403.186396

190.8

[M]+

382.21118142

197.8

[M]-

382.21227858

197.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1810059-82-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe