CID 364071

Nsc629710

Structural Information

Molecular Formula
C21H15ClN4
SMILES
C1=CC=C2C(=C1)C=NN2C(C3=CC=CC=C3Cl)N4C5=CC=CC=C5C=N4
InChI
InChI=1S/C21H15ClN4/c22-18-10-4-3-9-17(18)21(25-19-11-5-1-7-15(19)13-23-25)26-20-12-6-2-8-16(20)14-24-26/h1-14,21H
InChIKey
DRQXTWXIFCGWDN-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)-indazol-1-ylmethyl]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0985 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10578 183.5
[M+Na]+ 381.08772 195.7
[M-H]- 357.09122 190.9
[M+NH4]+ 376.13232 196.7
[M+K]+ 397.06166 186.8
[M+H-H2O]+ 341.09576 172.0
[M+HCOO]- 403.09670 199.2
[M+CH3COO]- 417.11235 194.4
[M+Na-2H]- 379.07317 187.1
[M]+ 358.09795 188.9
[M]- 358.09905 188.9
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.