CID 6110148

Nsc645071

Structural Information

Molecular Formula
C21H17N3O2
SMILES
C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)/C=C/C4=CC=CO4
InChI
InChI=1S/C21H17N3O2/c25-20(12-11-17-4-3-13-26-17)15-7-9-16(10-8-15)22-14-21-23-18-5-1-2-6-19(18)24-21/h1-13,22H,14H2,(H,23,24)/b12-11+
InChIKey
XXIDJBJIWXDWAQ-VAWYXSNFSA-N
Compound name
(E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13208 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 179.6
[M+Na]+ 366.12130 187.2
[M-H]- 342.12480 187.8
[M+NH4]+ 361.16590 191.8
[M+K]+ 382.09524 181.2
[M+H-H2O]+ 326.12934 170.4
[M+HCOO]- 388.13028 201.4
[M+CH3COO]- 402.14593 190.1
[M+Na-2H]- 364.10675 182.6
[M]+ 343.13153 181.0
[M]- 343.13263 181.0
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.