CID 6510099

Brn 4442590

Structural Information

Molecular Formula
C13H16N4
SMILES
CCN\1CCC/C1=N/C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H16N4/c1-2-17-9-5-8-12(17)16-13-14-10-6-3-4-7-11(10)15-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15)/b16-12-
InChIKey
WQNAZHNLADXFBU-VBKFSLOCSA-N
Compound name
(Z)-N-(1H-benzimidazol-2-yl)-1-ethylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1375 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 151.0
[M+Na]+ 251.12672 159.7
[M-H]- 227.13022 155.1
[M+NH4]+ 246.17132 169.5
[M+K]+ 267.10066 155.0
[M+H-H2O]+ 211.13476 142.0
[M+HCOO]- 273.13570 173.1
[M+CH3COO]- 287.15135 163.3
[M+Na-2H]- 249.11217 155.0
[M]+ 228.13695 149.7
[M]- 228.13805 149.7
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.