CID 202593

Glutaramic acid, 4-amino-n-(1-(3-indolyl)-2-propyl)-, (-)-(l)-

Structural Information

Molecular Formula
C16H21N3O3
SMILES
C[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C16H21N3O3/c1-10(19-16(22)13(17)6-7-15(20)21)8-11-9-18-14-5-3-2-4-12(11)14/h2-5,9-10,13,18H,6-8,17H2,1H3,(H,19,22)(H,20,21)/t10-,13-/m0/s1
InChIKey
ZKEPPWZHWPDFRB-GWCFXTLKSA-N
Compound name
(4S)-4-amino-5-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 172.0
[M+Na]+ 326.14752 176.0
[M-H]- 302.15102 171.9
[M+NH4]+ 321.19212 185.8
[M+K]+ 342.12146 172.4
[M+H-H2O]+ 286.15556 164.6
[M+HCOO]- 348.15650 190.4
[M+CH3COO]- 362.17215 205.5
[M+Na-2H]- 324.13297 171.9
[M]+ 303.15775 170.4
[M]- 303.15885 170.4
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

No patent data available for this compound.