CID 676168

3326-63-4

Structural Information

Molecular Formula
C21H19N3O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N
InChI
InChI=1S/C21H19N3O/c22-19(12-16-13-23-20-8-4-3-7-18(16)20)21(25)24-17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,19,23H,12,22H2,(H,24,25)/t19-/m0/s1
InChIKey
FVGGFBMEWGARAX-IBGZPJMESA-N
Compound name
(2S)-2-amino-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

329.1528 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16008 175.4
[M+Na]+ 352.14202 181.8
[M-H]- 328.14552 181.0
[M+NH4]+ 347.18662 189.8
[M+K]+ 368.11596 174.8
[M+H-H2O]+ 312.15006 166.8
[M+HCOO]- 374.15100 196.1
[M+CH3COO]- 388.16665 185.3
[M+Na-2H]- 350.12747 180.4
[M]+ 329.15225 173.4
[M]- 329.15335 173.4
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