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]+ 321.14583 167.5
[M+Na]+ 343.12777 173.3
[M-H]- 319.13127 175.1
[M+NH4]+ 338.17237 181.5
[M+K]+ 359.10171 163.1
[M+H-H2O]+ 303.13581 162.3
[M+HCOO]- 365.13675 197.4
[M+CH3COO]- 379.15240 212.2
[M+Na-2H]- 341.11322 177.0
[M]+ 320.13800 164.1
[M]- 320.13910 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.