CID 59743595

1032452-86-0

Structural Information

Molecular Formula
C13H10ClN3
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)Cl
InChI
InChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3
InChIKey
IIBWXYHPBMUNJP-UHFFFAOYSA-N
Compound name
3-(2-chloropyrimidin-4-yl)-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
Patents

243.05632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.063596 151.8
[M+Na]+ 266.045538 164.9
[M-H]- 242.049044 156.3
[M+NH4]+ 261.090143 169.3
[M+K]+ 282.019478 158.2
[M+H-H2O]+ 226.053580 143.0
[M+HCOO]- 288.054521 169.7
[M+CH3COO]- 302.070171 165.2
[M+Na-2H]- 264.030986 158.7
[M]+ 243.05577142 156.1
[M]- 243.05686858 156.1
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