CID 11637631

444731-74-2

Structural Information

Molecular Formula
C13H12ClN5
SMILES
CC1=C2C=CC(=CC2=NN1C)NC3=NC(=NC=C3)Cl
InChI
InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17)
InChIKey
SCUMWVJJSLLWHQ-UHFFFAOYSA-N
Compound name
N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

273.07812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.085396 161.1
[M+Na]+ 296.067338 174.1
[M-H]- 272.070844 164.5
[M+NH4]+ 291.111943 175.9
[M+K]+ 312.041278 167.0
[M+H-H2O]+ 256.075380 151.3
[M+HCOO]- 318.076321 178.5
[M+CH3COO]- 332.091971 173.3
[M+Na-2H]- 294.052786 167.7
[M]+ 273.07757142 165.6
[M]- 273.07866858 165.6
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