CID 6369802

Nsc636418

Structural Information

Molecular Formula
C20H21NO3
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H21NO3/c1-4-24-20(23)18(19(22)16-8-6-5-7-9-16)14-15-10-12-17(13-11-15)21(2)3/h5-14H,4H2,1-3H3/b18-14-
InChIKey
GHYSXLNTBFADFP-JXAWBTAJSA-N
Compound name
ethyl (Z)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.159406 178.2
[M+Na]+ 346.141348 182.2
[M-H]- 322.144854 185.5
[M+NH4]+ 341.185953 191.9
[M+K]+ 362.115288 179.9
[M+H-H2O]+ 306.149390 169.3
[M+HCOO]- 368.150331 200.2
[M+CH3COO]- 382.165981 214.3
[M+Na-2H]- 344.126796 178.3
[M]+ 323.15158142 180.4
[M]- 323.15267858 180.4
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.