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]+ 323.13902 177.1
[M+Na]+ 345.12096 181.4
[M-H]- 321.12446 184.6
[M+NH4]+ 340.16556 190.7
[M+K]+ 361.09490 178.2
[M+H-H2O]+ 305.12900 168.0
[M+HCOO]- 367.12994 201.8
[M+CH3COO]- 381.14559 213.5
[M+Na-2H]- 343.10641 179.4
[M]+ 322.13119 178.0
[M]- 322.13229 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.