CID 9588641

Brn 4458378

Structural Information

Molecular Formula
C15H20N4
SMILES
CCCCN\1CCC/C1=N/C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H20N4/c1-2-3-10-19-11-6-9-14(19)18-15-16-12-7-4-5-8-13(12)17-15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,16,17)/b18-14-
InChIKey
YVRGQFJXWUQIAF-JXAWBTAJSA-N
Compound name
(Z)-N-(1H-benzimidazol-2-yl)-1-butylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1688 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 160.0
[M+Na]+ 279.15802 167.7
[M-H]- 255.16152 163.7
[M+NH4]+ 274.20262 177.2
[M+K]+ 295.13196 162.6
[M+H-H2O]+ 239.16606 150.5
[M+HCOO]- 301.16700 181.3
[M+CH3COO]- 315.18265 171.3
[M+Na-2H]- 277.14347 162.9
[M]+ 256.16825 159.3
[M]- 256.16935 159.3
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.