CID 25200879

N-(indol-3-ylacetyl)glutamine

Structural Information

Molecular Formula
C15H17N3O4
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)N)C(=O)O
InChI
InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)
InChIKey
DVJIJAYHBZALOJ-UHFFFAOYSA-N
Compound name
5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

22
Patents

303.12192 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12920 168.8
[M+Na]+ 326.11114 173.3
[M-H]- 302.11464 168.8
[M+NH4]+ 321.15574 182.3
[M+K]+ 342.08508 170.0
[M+H-H2O]+ 286.11918 161.4
[M+HCOO]- 348.12012 187.9
[M+CH3COO]- 362.13577 204.0
[M+Na-2H]- 324.09659 169.3
[M]+ 303.12137 167.5
[M]- 303.12247 167.5
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