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 186.7
[M+Na]+ 382.17372 195.7
[M+NH4]+ 377.21832 191.3
[M+K]+ 398.14766 191.8
[M-H]- 358.17722 187.2
[M+Na-2H]- 380.15917 189.3
[M]+ 359.18395 187.6
[M]- 359.18505 187.6
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.