CID 384472

Nsc674274

Structural Information

Molecular Formula
C17H12N4O2
SMILES
CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H12N4O2/c1-11-17-19-14-4-2-3-5-16(14)20(17)10-15(18-11)12-6-8-13(9-7-12)21(22)23/h2-10H,1H3
InChIKey
WOZYONMVXACFMM-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-nitrophenyl)pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.09604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10332 168.2
[M+Na]+ 327.08526 178.2
[M-H]- 303.08876 174.1
[M+NH4]+ 322.12986 181.9
[M+K]+ 343.05920 168.1
[M+H-H2O]+ 287.09330 162.5
[M+HCOO]- 349.09424 189.9
[M+CH3COO]- 363.10989 200.6
[M+Na-2H]- 325.07071 177.7
[M]+ 304.09549 169.4
[M]- 304.09659 169.4
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.