PubChemLite - 9002-26-0 (C30H34F2N6O)

Structural Information

Molecular Formula

SMILES

CCC(C1=CC(=NN=C1C(C)C2=NC(=NC=C2)C3=CN=C(N=C3)C(C)(C)O)C4=C(C=CC=C4F)F)C(C)(C)C

InChI

InChI=1S/C30H34F2N6O/c1-8-20(29(3,4)5)19-14-24(25-21(31)10-9-11-22(25)32)37-38-26(19)17(2)23-12-13-33-27(36-23)18-15-34-28(35-16-18)30(6,7)39/h9-17,20,39H,8H2,1-7H3

InChIKey

ITUUZOLYXUIHMY-UHFFFAOYSA-N

Compound name

2-[5-[4-[1-[6-(2,6-difluorophenyl)-4-(2,2-dimethylpentan-3-yl)pyridazin-3-yl]ethyl]pyrimidin-2-yl]pyrimidin-2-yl]propan-2-ol

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]+	533.28353	233.4
[M+Na]+	555.26547	246.7
[M+NH4]+	550.31007	235.0
[M+K]+	571.23941	241.0
[M-H]-	531.26897	234.3
[M+Na-2H]-	553.25092	240.7
[M]+	532.27570	235.5
[M]-	532.27680	235.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.28353

233.4

[M+Na]+

555.26547

246.7

[M+NH4]+

550.31007

235.0

[M+K]+

571.23941

241.0

[M-H]-

531.26897

234.3

[M+Na-2H]-

553.25092

240.7

[M]+

532.27570

235.5

[M]-

532.27680

235.5

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

9002-26-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe