CID 488806

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

Structural Information

Molecular Formula
C19H21N7O
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=NC(=C(C=C3)C(=O)N)N)C
InChI
InChI=1S/C19H21N7O/c1-10-8-11(2)16(12(3)9-10)23-15-6-7-22-19(26-15)25-14-5-4-13(18(21)27)17(20)24-14/h4-9H,1-3H3,(H2,21,27)(H4,20,22,23,24,25,26)
InChIKey
UTHWVUXIDSSJIL-UHFFFAOYSA-N
Compound name
2-amino-6-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18076 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18804 190.9
[M+Na]+ 386.16998 198.7
[M-H]- 362.17348 197.2
[M+NH4]+ 381.21458 197.9
[M+K]+ 402.14392 192.2
[M+H-H2O]+ 346.17802 179.3
[M+HCOO]- 408.17896 212.9
[M+CH3COO]- 422.19461 230.2
[M+Na-2H]- 384.15543 193.8
[M]+ 363.18021 188.6
[M]- 363.18131 188.6
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.