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]+ 324.15941 178.2
[M+Na]+ 346.14135 182.2
[M-H]- 322.14485 185.5
[M+NH4]+ 341.18595 191.9
[M+K]+ 362.11529 179.9
[M+H-H2O]+ 306.14939 169.3
[M+HCOO]- 368.15033 200.2
[M+CH3COO]- 382.16598 214.3
[M+Na-2H]- 344.12680 178.3
[M]+ 323.15158 180.4
[M]- 323.15268 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.