CID 24799203

Rsc133

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)N
InChI
InChI=1S/C18H15N3O2/c19-18(23)12-4-3-5-14(10-12)21-17(22)9-8-13-11-20-16-7-2-1-6-15(13)16/h1-11,20H,(H2,19,23)(H,21,22)/b9-8+
InChIKey
HYUDSQGICKAEGE-CMDGGOBGSA-N
Compound name
3-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

305.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 170.1
[M+Na]+ 328.10564 177.0
[M-H]- 304.10914 175.1
[M+NH4]+ 323.15024 184.6
[M+K]+ 344.07958 170.7
[M+H-H2O]+ 288.11368 161.8
[M+HCOO]- 350.11462 192.8
[M+CH3COO]- 364.13027 205.5
[M+Na-2H]- 326.09109 173.5
[M]+ 305.11587 168.1
[M]- 305.11697 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe