CID 5012

6-nitroquipazine

Structural Information

Molecular Formula
C13H14N4O2
SMILES
C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
InChIKey
GGDBEAVVGFNWIA-UHFFFAOYSA-N
Compound name
6-nitro-2-piperazin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

59
References

257
Patents

258.11166 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11894 155.7
[M+Na]+ 281.10088 160.6
[M-H]- 257.10438 157.2
[M+NH4]+ 276.14548 167.2
[M+K]+ 297.07482 151.6
[M+H-H2O]+ 241.10892 150.2
[M+HCOO]- 303.10986 171.4
[M+CH3COO]- 317.12551 187.2
[M+Na-2H]- 279.08633 164.4
[M]+ 258.11111 148.0
[M]- 258.11221 148.0
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.