CID 488805

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

Structural Information

Molecular Formula
C19H20N6O
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=NC=C(C=C3)C(=O)N)C
InChI
InChI=1S/C19H20N6O/c1-11-8-12(2)17(13(3)9-11)23-16-6-7-21-19(25-16)24-15-5-4-14(10-22-15)18(20)26/h4-10H,1-3H3,(H2,20,26)(H2,21,22,23,24,25)
InChIKey
QNRQXIYQCFTMOQ-UHFFFAOYSA-N
Compound name
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

348.16986 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17714 186.2
[M+Na]+ 371.15908 193.9
[M-H]- 347.16258 192.5
[M+NH4]+ 366.20368 194.2
[M+K]+ 387.13302 187.5
[M+H-H2O]+ 331.16712 174.6
[M+HCOO]- 393.16806 207.9
[M+CH3COO]- 407.18371 223.9
[M+Na-2H]- 369.14453 190.3
[M]+ 348.16931 185.1
[M]- 348.17041 185.1
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.