CID 6293505

Nsc666761

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC(=O)N/N=C(\C=C\C1=CC=CC=C1)/C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C19H18N2O3/c1-14(22)20-21-18(13-12-16-8-4-3-5-9-16)17-10-6-7-11-19(17)24-15(2)23/h3-13H,1-2H3,(H,20,22)/b13-12+,21-18+
InChIKey
SFPAYCIRCAOKOP-UVNARHGHSA-N
Compound name
[2-[(E)-N-acetamido-C-[(E)-2-phenylethenyl]carbonimidoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 177.1
[M+Na]+ 345.120958 181.4
[M-H]- 321.124464 184.6
[M+NH4]+ 340.165563 190.7
[M+K]+ 361.094898 178.2
[M+H-H2O]+ 305.129000 168.0
[M+HCOO]- 367.129941 201.8
[M+CH3COO]- 381.145591 213.5
[M+Na-2H]- 343.106406 179.4
[M]+ 322.13119142 178.0
[M]- 322.13228858 178.0
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.