CID 199893

L-alpha-glutaminyl-5-methoxytryptamine

Structural Information

Molecular Formula
C16H21N3O4
SMILES
COC1=CC2=C(C=C1)NC=C2CCNC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C16H21N3O4/c1-23-11-2-4-14-12(8-11)10(9-19-14)6-7-18-16(22)13(17)3-5-15(20)21/h2,4,8-9,13,19H,3,5-7,17H2,1H3,(H,18,22)(H,20,21)/t13-/m0/s1
InChIKey
XCBNWPWLJVFDBP-ZDUSSCGKSA-N
Compound name
(4S)-4-amino-5-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.1532 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16048 173.9
[M+Na]+ 342.14242 178.9
[M-H]- 318.14592 174.0
[M+NH4]+ 337.18702 187.3
[M+K]+ 358.11636 175.4
[M+H-H2O]+ 302.15046 166.4
[M+HCOO]- 364.15140 193.5
[M+CH3COO]- 378.16705 208.1
[M+Na-2H]- 340.12787 174.5
[M]+ 319.15265 174.7
[M]- 319.15375 174.7
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

patents stripe