CID 3732575

2-[(2-chlorophenyl)formamido]-3-(1h-indol-3-yl)propanoic acid

Structural Information

Molecular Formula
C18H15ClN2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H15ClN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)
InChIKey
PIHNVMQBEJPYDL-UHFFFAOYSA-N
Compound name
2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

342.07712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08440 177.2
[M+Na]+ 365.06634 189.7
[M+NH4]+ 360.11094 183.8
[M+K]+ 381.04028 185.2
[M-H]- 341.06984 179.6
[M+Na-2H]- 363.05179 183.3
[M]+ 342.07657 179.7
[M]- 342.07767 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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