CID 3050486

66485-89-0

Structural Information

Molecular Formula
C18H17N5O5
SMILES
CON(C(=O)C1=CC=CC=C1)C(=O)NCCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H17N5O5/c1-28-22(17(24)13-5-3-2-4-6-13)18(25)19-9-10-21-12-20-15-8-7-14(23(26)27)11-16(15)21/h2-8,11-12H,9-10H2,1H3,(H,19,25)
InChIKey
GTZVTJWCVDNGAT-UHFFFAOYSA-N
Compound name
N-methoxy-N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.12296 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13024 183.6
[M+Na]+ 406.11218 187.7
[M-H]- 382.11568 190.4
[M+NH4]+ 401.15678 193.5
[M+K]+ 422.08612 181.8
[M+H-H2O]+ 366.12022 177.6
[M+HCOO]- 428.12116 208.1
[M+CH3COO]- 442.13681 217.4
[M+Na-2H]- 404.09763 190.7
[M]+ 383.12241 186.0
[M]- 383.12351 186.0
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.