PubChemLite - 1373116-04-1 (C25H36F2N2OSi)

Structural Information

Molecular Formula

SMILES

CC(C)[Si](C(C)C)(C(C)C)OC1CCC(C(C2=C1N=CC=C2)N)C3=C(C(=CC=C3)F)F

InChI

InChI=1S/C25H36F2N2OSi/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)24(28)20-10-8-14-29-25(20)22/h7-11,14-17,19,22,24H,12-13,28H2,1-6H3

InChIKey

SNGLNEOTYPIRQO-UHFFFAOYSA-N

Compound name

6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine

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]+	447.26378	203.5
[M+Na]+	469.24572	206.5
[M-H]-	445.24922	207.0
[M+NH4]+	464.29032	212.3
[M+K]+	485.21966	207.0
[M+H-H2O]+	429.25376	194.1
[M+HCOO]-	491.25470	213.3
[M+CH3COO]-	505.27035	237.7
[M+Na-2H]-	467.23117	199.0
[M]+	446.25595	197.8
[M]-	446.25705	197.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.26378

203.5

[M+Na]+

469.24572

206.5

[M-H]-

445.24922

207.0

[M+NH4]+

464.29032

212.3

[M+K]+

485.21966

207.0

[M+H-H2O]+

429.25376

194.1

[M+HCOO]-

491.25470

213.3

[M+CH3COO]-

505.27035

237.7

[M+Na-2H]-

467.23117

199.0

[M]+

446.25595

197.8

[M]-

446.25705

197.8

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

1373116-04-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe