CID 24798741

N-[2-(5-methyl-4h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C15H13N7
SMILES
CC1=NC(=NN1)C2=CC=CC=C2NC3=NC=NC4=C3C=CN4
InChI
InChI=1S/C15H13N7/c1-9-19-15(22-21-9)10-4-2-3-5-12(10)20-14-11-6-7-16-13(11)17-8-18-14/h2-8H,1H3,(H,19,21,22)(H2,16,17,18,20)
InChIKey
OKGCSZUKOGMZAL-UHFFFAOYSA-N
Compound name
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

291.12323 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13051 164.4
[M+Na]+ 314.11245 175.2
[M-H]- 290.11595 166.8
[M+NH4]+ 309.15705 174.6
[M+K]+ 330.08639 167.0
[M+H-H2O]+ 274.12049 153.5
[M+HCOO]- 336.12143 182.6
[M+CH3COO]- 350.13708 174.5
[M+Na-2H]- 312.09790 169.9
[M]+ 291.12268 163.5
[M]- 291.12378 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe