CID 135429897

Nsc347817

Structural Information

Molecular Formula
C22H18N4O3
SMILES
C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)O
InChI
InChI=1S/C22H18N4O3/c27-17-9-5-15(6-10-17)13-23-26-22(28)16-7-11-18(12-8-16)29-14-21-24-19-3-1-2-4-20(19)25-21/h1-13,27H,14H2,(H,24,25)(H,26,28)/b23-13+
InChIKey
YIEYSKUKGANANG-YDZHTSKRSA-N
Compound name
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13788 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14516 188.0
[M+Na]+ 409.12710 194.8
[M-H]- 385.13060 195.3
[M+NH4]+ 404.17170 197.6
[M+K]+ 425.10104 188.1
[M+H-H2O]+ 369.13514 177.1
[M+HCOO]- 431.13608 210.6
[M+CH3COO]- 445.15173 197.3
[M+Na-2H]- 407.11255 193.5
[M]+ 386.13733 189.1
[M]- 386.13843 189.1
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.