CID 3500152

624726-18-7

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CCCCCCCC(=O)N=NC1=C(N(C2=CC=CC=C21)CC(=O)OC)O
InChI
InChI=1S/C19H25N3O4/c1-3-4-5-6-7-12-16(23)20-21-18-14-10-8-9-11-15(14)22(19(18)25)13-17(24)26-2/h8-11,25H,3-7,12-13H2,1-2H3
InChIKey
SNKTYAJPLKGFDK-UHFFFAOYSA-N
Compound name
methyl 2-[2-hydroxy-3-(octanoyldiazenyl)indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1845 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 186.5
[M+Na]+ 382.17372 193.1
[M-H]- 358.17722 191.0
[M+NH4]+ 377.21832 201.1
[M+K]+ 398.14766 190.4
[M+H-H2O]+ 342.18176 177.8
[M+HCOO]- 404.18270 211.3
[M+CH3COO]- 418.19835 222.5
[M+Na-2H]- 380.15917 188.2
[M]+ 359.18395 195.0
[M]- 359.18505 195.0
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.