CID 125181306

App-pica

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C23H27N3O2/c1-2-3-9-14-26-16-19(18-12-7-8-13-21(18)26)23(28)25-20(22(24)27)15-17-10-5-4-6-11-17/h4-8,10-13,16,20H,2-3,9,14-15H2,1H3,(H2,24,27)(H,25,28)/t20-/m0/s1
InChIKey
JMCYJVVVJOZORS-FQEVSTJZSA-N
Compound name
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-pentylindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.217606 194.1
[M+Na]+ 400.199548 198.3
[M-H]- 376.203054 199.5
[M+NH4]+ 395.244153 206.1
[M+K]+ 416.173488 193.0
[M+H-H2O]+ 360.207590 184.5
[M+HCOO]- 422.208531 215.2
[M+CH3COO]- 436.224181 224.8
[M+Na-2H]- 398.184996 194.0
[M]+ 377.20978142 195.6
[M]- 377.21087858 195.6
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