CID 200090

L-gamma-glutaminyl-5-methoxytryptamine

Structural Information

Molecular Formula
C16H21N3O4
SMILES
COC1=CC2=C(C=C1)NC=C2CCN[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C16H21N3O4/c1-23-11-2-3-13-12(8-11)10(9-19-13)6-7-18-14(16(21)22)4-5-15(17)20/h2-3,8-9,14,18-19H,4-7H2,1H3,(H2,17,20)(H,21,22)/t14-/m0/s1
InChIKey
QWGPDSPLJZUKLF-AWEZNQCLSA-N
Compound name
(2S)-5-amino-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1532 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16048 174.4
[M+Na]+ 342.14242 181.2
[M+NH4]+ 337.18702 178.4
[M+K]+ 358.11636 180.0
[M-H]- 318.14592 173.3
[M+Na-2H]- 340.12787 175.5
[M]+ 319.15265 174.3
[M]- 319.15375 174.3
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.