CID 368640

Nsc639754

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)CN3C=CC=C3
InChI
InChI=1S/C15H16N4O2/c1-2-21-15(20)18-14-16-12-6-5-11(9-13(12)17-14)10-19-7-3-4-8-19/h3-9H,2,10H2,1H3,(H2,16,17,18,20)
InChIKey
XBJXAIXJEHJPKE-UHFFFAOYSA-N
Compound name
ethyl N-[6-(pyrrol-1-ylmethyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

284.12732 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 163.7
[M+Na]+ 307.11654 172.3
[M-H]- 283.12004 167.3
[M+NH4]+ 302.16114 179.1
[M+K]+ 323.09048 167.8
[M+H-H2O]+ 267.12458 154.8
[M+HCOO]- 329.12552 185.9
[M+CH3COO]- 343.14117 175.1
[M+Na-2H]- 305.10199 167.4
[M]+ 284.12677 166.2
[M]- 284.12787 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.