CID 16773323

3-(1h-indol-3-yl)-2-(naphthalen-2-ylformamido)propanoic acid

Structural Information

Molecular Formula
C22H18N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O
InChI
InChI=1S/C22H18N2O3/c25-21(16-10-9-14-5-1-2-6-15(14)11-16)24-20(22(26)27)12-17-13-23-19-8-4-3-7-18(17)19/h1-11,13,20,23H,12H2,(H,24,25)(H,26,27)
InChIKey
IMROYEDZWIZGEE-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

358.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13902 182.6
[M+Na]+ 381.12096 188.3
[M-H]- 357.12446 187.3
[M+NH4]+ 376.16556 195.2
[M+K]+ 397.09490 182.2
[M+H-H2O]+ 341.12900 174.2
[M+HCOO]- 403.12994 200.5
[M+CH3COO]- 417.14559 191.6
[M+Na-2H]- 379.10641 185.9
[M]+ 358.13119 182.1
[M]- 358.13229 182.1
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