CID 4247498

97485-20-6

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)C(=O)NC(=O)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H14N2O2/c20-16(19-17(21)12-6-2-1-3-7-12)10-13-11-18-15-9-5-4-8-14(13)15/h1-9,11,18H,10H2,(H,19,20,21)
InChIKey
HNLXFGCMTPMMDN-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)acetyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 162.9
[M+Na]+ 301.09475 170.0
[M-H]- 277.09825 168.2
[M+NH4]+ 296.13935 178.9
[M+K]+ 317.06869 164.7
[M+H-H2O]+ 261.10279 154.8
[M+HCOO]- 323.10373 185.4
[M+CH3COO]- 337.11938 174.3
[M+Na-2H]- 299.08020 167.9
[M]+ 278.10498 162.5
[M]- 278.10608 162.5
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

No patent data available for this compound.