CID 5468259

Nsc666762

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC(=O)N(C(=O)C)/N=C\1/CC(OC2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-13(22)21(14(2)23)20-17-12-19(15-8-4-3-5-9-15)24-18-11-7-6-10-16(17)18/h3-11,19H,12H2,1-2H3/b20-17-
InChIKey
UNGWSRDLOLQJGX-JZJYNLBNSA-N
Compound name
N-acetyl-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 175.6
[M+Na]+ 345.120958 180.3
[M-H]- 321.124464 185.7
[M+NH4]+ 340.165563 189.4
[M+K]+ 361.094898 179.3
[M+H-H2O]+ 305.129000 166.3
[M+HCOO]- 367.129941 197.4
[M+CH3COO]- 381.145591 217.3
[M+Na-2H]- 343.106406 179.6
[M]+ 322.13119142 175.9
[M]- 322.13228858 175.9
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.