CID 6510101

1h-benzimidazol-2-amine, n-(hexahydro-1-methyl-2h-azepin-2-ylidene)-

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]+ 243.160426 156.0
[M+Na]+ 265.142368 162.4
[M-H]- 241.145874 160.7
[M+NH4]+ 260.186973 170.9
[M+K]+ 281.116308 161.0
[M+H-H2O]+ 225.150410 145.8
[M+HCOO]- 287.151351 174.8
[M+CH3COO]- 301.167001 166.6
[M+Na-2H]- 263.127816 160.7
[M]+ 242.15260142 149.8
[M]- 242.15369858 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.