CID 833267

3626-95-7

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18N2O3/c1-20(2)15-10-8-13(9-11-15)12-16(18(22)23)19-17(21)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21)(H,22,23)/b16-12+
InChIKey
LHCIVCRKLRBKES-FOWTUZBSSA-N
Compound name
(E)-2-benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 173.4
[M+Na]+ 333.120958 176.9
[M-H]- 309.124464 179.6
[M+NH4]+ 328.165563 186.5
[M+K]+ 349.094898 174.4
[M+H-H2O]+ 293.129000 164.8
[M+HCOO]- 355.129941 195.6
[M+CH3COO]- 369.145591 211.2
[M+Na-2H]- 331.106406 174.6
[M]+ 310.13119142 172.3
[M]- 310.13228858 172.3
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

patents stripe