CID 11608962

444731-75-3

Structural Information

Molecular Formula
C14H14ClN5
SMILES
CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)Cl
InChI
InChI=1S/C14H14ClN5/c1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13/h4-8H,1-3H3
InChIKey
DVGMRZQSSNNTFY-UHFFFAOYSA-N
Compound name
N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

287.09378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10106 165.3
[M+Na]+ 310.08300 177.9
[M-H]- 286.08650 170.0
[M+NH4]+ 305.12760 180.1
[M+K]+ 326.05694 172.0
[M+H-H2O]+ 270.09104 155.1
[M+HCOO]- 332.09198 182.9
[M+CH3COO]- 346.10763 177.7
[M+Na-2H]- 308.06845 170.7
[M]+ 287.09323 171.4
[M]- 287.09433 171.4
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