CID 12262747

59591-77-4

Structural Information

Molecular Formula
C11H8ClN3
SMILES
CC1=NC2=C3C=CC=CC3=NN2C(=C1)Cl
InChI
InChI=1S/C11H8ClN3/c1-7-6-10(12)15-11(13-7)8-4-2-3-5-9(8)14-15/h2-6H,1H3
InChIKey
DMSOZDARJZHJID-UHFFFAOYSA-N
Compound name
4-chloro-2-methylpyrimido[1,2-b]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.04068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.047956 144.1
[M+Na]+ 240.029898 158.1
[M-H]- 216.033404 146.4
[M+NH4]+ 235.074503 164.0
[M+K]+ 256.003838 151.9
[M+H-H2O]+ 200.037940 136.4
[M+HCOO]- 262.038881 161.1
[M+CH3COO]- 276.054531 158.0
[M+Na-2H]- 238.015346 152.6
[M]+ 217.04013142 149.0
[M]- 217.04122858 149.0
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.