CID 488807

2-amino-6-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C19H19N7
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=NC(=C(C=C3)C#N)N)C
InChI
InChI=1S/C19H19N7/c1-11-8-12(2)17(13(3)9-11)23-16-6-7-22-19(26-16)25-15-5-4-14(10-20)18(21)24-15/h4-9H,1-3H3,(H4,21,22,23,24,25,26)
InChIKey
DZQZKEMBMRLRJL-UHFFFAOYSA-N
Compound name
2-amino-6-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1702 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17748 188.6
[M+Na]+ 368.15942 198.0
[M-H]- 344.16292 191.8
[M+NH4]+ 363.20402 195.2
[M+K]+ 384.13336 190.7
[M+H-H2O]+ 328.16746 170.4
[M+HCOO]- 390.16840 206.1
[M+CH3COO]- 404.18405 195.7
[M+Na-2H]- 366.14487 191.2
[M]+ 345.16965 181.6
[M]- 345.17075 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.