CID 9555562

Lr9p6lv2db

Structural Information

Molecular Formula
C20H16N4O3
SMILES
C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)C(=O)N/N=C/C4=CC=CO4
InChI
InChI=1S/C20H16N4O3/c25-20(24-21-12-16-4-3-11-26-16)14-7-9-15(10-8-14)27-13-19-22-17-5-1-2-6-18(17)23-19/h1-12H,13H2,(H,22,23)(H,24,25)/b21-12+
InChIKey
IIARSUCTPRZFNC-CIAFOILYSA-N
Compound name
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.12225 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 180.0
[M+Na]+ 383.11147 187.4
[M-H]- 359.11497 189.8
[M+NH4]+ 378.15607 191.9
[M+K]+ 399.08541 183.3
[M+H-H2O]+ 343.11951 170.3
[M+HCOO]- 405.12045 204.9
[M+CH3COO]- 419.13610 191.0
[M+Na-2H]- 381.09692 185.1
[M]+ 360.12170 183.6
[M]- 360.12280 183.6
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

patents stripe