CID 137553774

(indol-3-yl)butanoyl-l-glutamine

Structural Information

Molecular Formula
C17H21N3O4
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C17H21N3O4/c18-15(21)9-8-14(17(23)24)20-16(22)7-3-4-11-10-19-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,19H,3-4,7-9H2,(H2,18,21)(H,20,22)(H,23,24)/t14-/m0/s1
InChIKey
DGZSVIAYDFRXQW-AWEZNQCLSA-N
Compound name
(2S)-5-amino-2-[4-(1H-indol-3-yl)butanoylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1532 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.160476 177.8
[M+Na]+ 354.142418 181.3
[M-H]- 330.145924 177.4
[M+NH4]+ 349.187023 190.1
[M+K]+ 370.116358 177.7
[M+H-H2O]+ 314.150460 170.0
[M+HCOO]- 376.151401 196.1
[M+CH3COO]- 390.167051 209.9
[M+Na-2H]- 352.127866 177.3
[M]+ 331.15265142 177.1
[M]- 331.15374858 177.1
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.