CID 203424

N-glycylglycyl-5-methoxytryptamine acetate

Structural Information

Molecular Formula
C15H20N4O3
SMILES
COC1=CC2=C(C=C1)NC=C2CCNC(=O)CNC(=O)CN
InChI
InChI=1S/C15H20N4O3/c1-22-11-2-3-13-12(6-11)10(8-18-13)4-5-17-15(21)9-19-14(20)7-16/h2-3,6,8,18H,4-5,7,9,16H2,1H3,(H,17,21)(H,19,20)
InChIKey
XWJKIIOGWZONJS-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15353 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.160806 168.7
[M+Na]+ 327.142748 174.2
[M-H]- 303.146254 170.3
[M+NH4]+ 322.187353 183.3
[M+K]+ 343.116688 170.7
[M+H-H2O]+ 287.150790 160.7
[M+HCOO]- 349.151731 192.0
[M+CH3COO]- 363.167381 208.9
[M+Na-2H]- 325.128196 172.0
[M]+ 304.15298142 169.4
[M]- 304.15407858 169.4
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.