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]+ 311.13902 173.4
[M+Na]+ 333.12096 176.9
[M-H]- 309.12446 179.6
[M+NH4]+ 328.16556 186.5
[M+K]+ 349.09490 174.4
[M+H-H2O]+ 293.12900 164.8
[M+HCOO]- 355.12994 195.6
[M+CH3COO]- 369.14559 211.2
[M+Na-2H]- 331.10641 174.6
[M]+ 310.13119 172.3
[M]- 310.13229 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