CID 5384886

Nsc369856

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCC2(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C19H18N2O3/c22-17(11-10-14-6-2-1-3-7-14)20-13-12-19(24)15-8-4-5-9-16(15)21-18(19)23/h1-11,24H,12-13H2,(H,20,22)(H,21,23)/b11-10+
InChIKey
PIKKQBJTPYJQEK-ZHACJKMWSA-N
Compound name
(E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 175.8
[M+Na]+ 345.12096 182.0
[M-H]- 321.12446 179.2
[M+NH4]+ 340.16556 191.4
[M+K]+ 361.09490 175.5
[M+H-H2O]+ 305.12900 168.1
[M+HCOO]- 367.12994 194.6
[M+CH3COO]- 381.14559 202.9
[M+Na-2H]- 343.10641 179.1
[M]+ 322.13119 173.5
[M]- 322.13229 173.5
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.