CID 3025511

1h-isoindole-1,3(2h)-dione, 2-((6-nitro-1h-benzimidazol-1-yl)methyl)-

Structural Information

Molecular Formula
C16H10N4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C=NC4=C3C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C16H10N4O4/c21-15-11-3-1-2-4-12(11)16(22)19(15)9-18-8-17-13-6-5-10(20(23)24)7-14(13)18/h1-8H,9H2
InChIKey
CHXXGZNHKYTNGU-UHFFFAOYSA-N
Compound name
2-[(6-nitrobenzimidazol-1-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0702 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07748 169.3
[M+Na]+ 345.05942 184.1
[M+NH4]+ 340.10402 176.0
[M+K]+ 361.03336 184.0
[M-H]- 321.06292 172.7
[M+Na-2H]- 343.04487 174.7
[M]+ 322.06965 172.1
[M]- 322.07075 172.1
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.