CID 131013

128579-70-4

Structural Information

Molecular Formula
C16H20N4O3
SMILES
CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC
InChI
InChI=1S/C16H20N4O3/c1-10-5-7-20(8-6-10)14(21)11-3-4-12-13(9-11)18-15(17-12)19-16(22)23-2/h3-4,9-10H,5-8H2,1-2H3,(H2,17,18,19,22)
InChIKey
UTWWDXILWODSED-UHFFFAOYSA-N
Compound name
methyl N-[6-(4-methylpiperidine-1-carbonyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.15353 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16081 173.8
[M+Na]+ 339.14275 179.9
[M-H]- 315.14625 176.1
[M+NH4]+ 334.18735 185.8
[M+K]+ 355.11669 175.8
[M+H-H2O]+ 299.15079 164.4
[M+HCOO]- 361.15173 189.7
[M+CH3COO]- 375.16738 205.1
[M+Na-2H]- 337.12820 175.0
[M]+ 316.15298 171.9
[M]- 316.15408 171.9
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.