CID 9611125

305352-84-5

Structural Information

Molecular Formula
C19H20N4O4
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)CN2C=NC3=CC=CC=C32)OC)OC
InChI
InChI=1S/C19H20N4O4/c1-25-16-9-18(27-3)17(26-2)8-13(16)10-21-22-19(24)11-23-12-20-14-6-4-5-7-15(14)23/h4-10,12H,11H2,1-3H3,(H,22,24)/b21-10+
InChIKey
CHOLKPVMVWFAKI-UFFVCSGVSA-N
Compound name
2-(benzimidazol-1-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14847 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 185.1
[M+Na]+ 391.13769 193.6
[M-H]- 367.14119 192.4
[M+NH4]+ 386.18229 197.7
[M+K]+ 407.11163 190.4
[M+H-H2O]+ 351.14573 174.8
[M+HCOO]- 413.14667 210.7
[M+CH3COO]- 427.16232 223.0
[M+Na-2H]- 389.12314 189.8
[M]+ 368.14792 193.3
[M]- 368.14902 193.3
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.