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]+ 323.13902 175.6
[M+Na]+ 345.12096 180.3
[M-H]- 321.12446 185.7
[M+NH4]+ 340.16556 189.4
[M+K]+ 361.09490 179.3
[M+H-H2O]+ 305.12900 166.3
[M+HCOO]- 367.12994 197.4
[M+CH3COO]- 381.14559 217.3
[M+Na-2H]- 343.10641 179.6
[M]+ 322.13119 175.9
[M]- 322.13229 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.