CID 126931

Serotonin azidobenzamidine

Structural Information

Molecular Formula
C17H16N6O
SMILES
C1=CC(=CC=C1C(=NCCC2=CNC3=C2C=C(C=C3)O)N)N=[N+]=[N-]
InChI
InChI=1S/C17H16N6O/c18-17(11-1-3-13(4-2-11)22-23-19)20-8-7-12-10-21-16-6-5-14(24)9-15(12)16/h1-6,9-10,21,24H,7-8H2,(H2,18,20)
InChIKey
HLIZYGZLFWJZLX-UHFFFAOYSA-N
Compound name
4-azido-N'-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

320.13855 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.145826 167.5
[M+Na]+ 343.127768 173.3
[M-H]- 319.131274 175.1
[M+NH4]+ 338.172373 181.5
[M+K]+ 359.101708 163.1
[M+H-H2O]+ 303.135810 162.3
[M+HCOO]- 365.136751 197.4
[M+CH3COO]- 379.152401 212.2
[M+Na-2H]- 341.113216 177.0
[M]+ 320.13800142 164.1
[M]- 320.13909858 164.1
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

No patent data available for this compound.