CID 667146

Ac1903

Structural Information

Molecular Formula
C19H17N3O
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NCC4=CC=CO4
InChI
InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
InChIKey
OECUWHDVQIITIS-UHFFFAOYSA-N
Compound name
1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

5
Patents

303.13718 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14446 167.8
[M+Na]+ 326.12640 176.9
[M-H]- 302.12990 177.4
[M+NH4]+ 321.17100 182.8
[M+K]+ 342.10034 172.0
[M+H-H2O]+ 286.13444 158.6
[M+HCOO]- 348.13538 192.3
[M+CH3COO]- 362.15103 180.2
[M+Na-2H]- 324.11185 173.3
[M]+ 303.13663 171.1
[M]- 303.13773 171.1
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

patents stripe