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]+ 304.165576 172.0
[M+Na]+ 326.147518 176.0
[M-H]- 302.151024 171.9
[M+NH4]+ 321.192123 185.8
[M+K]+ 342.121458 172.4
[M+H-H2O]+ 286.155560 164.6
[M+HCOO]- 348.156501 190.4
[M+CH3COO]- 362.172151 205.5
[M+Na-2H]- 324.132966 171.9
[M]+ 303.15775142 170.4
[M]- 303.15884858 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.