CID 3078596

1h-indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride

Structural Information

Molecular Formula
C12H15N5O2
SMILES
CN1CCN(CC1)C2=NNC3=C2C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H15N5O2/c1-15-4-6-16(7-5-15)12-10-3-2-9(17(18)19)8-11(10)13-14-12/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKey
JCWSRFPDGPHKRU-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-6-nitro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.1226 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 157.0
[M+Na]+ 284.11182 164.1
[M-H]- 260.11532 158.4
[M+NH4]+ 279.15642 169.4
[M+K]+ 300.08576 155.2
[M+H-H2O]+ 244.11986 151.7
[M+HCOO]- 306.12080 173.9
[M+CH3COO]- 320.13645 187.8
[M+Na-2H]- 282.09727 163.9
[M]+ 261.12205 151.9
[M]- 261.12315 151.9
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

patents stripe