CID 6510101

Brn 4448064

Structural Information

Molecular Formula
C14H18N4
SMILES
CN\1CCCCC/C1=N/C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H18N4/c1-18-10-6-2-3-9-13(18)17-14-15-11-7-4-5-8-12(11)16-14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,16)/b17-13-
InChIKey
ZDUWKDQRGYCRBC-LGMDPLHJSA-N
Compound name
(Z)-N-(1H-benzimidazol-2-yl)-1-methylazepan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16043 156.0
[M+Na]+ 265.14237 162.4
[M-H]- 241.14587 160.7
[M+NH4]+ 260.18697 170.9
[M+K]+ 281.11631 161.0
[M+H-H2O]+ 225.15041 145.8
[M+HCOO]- 287.15135 174.8
[M+CH3COO]- 301.16700 166.6
[M+Na-2H]- 263.12782 160.7
[M]+ 242.15260 149.8
[M]- 242.15370 149.8
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.