CID 5399787

452090-06-1

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CCOC1=CC=C(C=C1)/C=N\NC(=O)CCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C19H20N4O2/c1-2-25-16-9-7-15(8-10-16)13-21-22-19(24)11-12-23-14-20-17-5-3-4-6-18(17)23/h3-10,13-14H,2,11-12H2,1H3,(H,22,24)/b21-13-
InChIKey
QVBYTRZAZRGQMA-BKUYFWCQSA-N
Compound name
3-(benzimidazol-1-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15863 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.165906 178.7
[M+Na]+ 359.147848 186.0
[M-H]- 335.151354 185.1
[M+NH4]+ 354.192453 192.3
[M+K]+ 375.121788 181.1
[M+H-H2O]+ 319.155890 168.2
[M+HCOO]- 381.156831 204.1
[M+CH3COO]- 395.172481 216.2
[M+Na-2H]- 357.133296 184.6
[M]+ 336.15808142 183.3
[M]- 336.15917858 183.3
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.