CID 4284525

5-methoxycarbonylamino-n-acetyltryptamine

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)NC(=O)OC
InChI
InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
InChIKey
MPZVHKLZCUEJFO-UHFFFAOYSA-N
Compound name
methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

142
Patents

275.12698 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.134256 162.1
[M+Na]+ 298.116198 169.2
[M-H]- 274.119704 164.5
[M+NH4]+ 293.160803 178.7
[M+K]+ 314.090138 165.9
[M+H-H2O]+ 258.124240 154.8
[M+HCOO]- 320.125181 185.4
[M+CH3COO]- 334.140831 200.3
[M+Na-2H]- 296.101646 166.2
[M]+ 275.12643142 164.2
[M]- 275.12752858 164.2
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