CID 5008176

624726-13-2

Structural Information

Molecular Formula
C18H14N4O6
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N4O6/c1-28-15(23)10-21-14-8-3-2-7-13(14)16(18(21)25)19-20-17(24)11-5-4-6-12(9-11)22(26)27/h2-9,25H,10H2,1H3
InChIKey
JLPNABZXPXELPB-UHFFFAOYSA-N
Compound name
methyl 2-[2-hydroxy-3-[(3-nitrobenzoyl)diazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.09134 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.098616 183.4
[M+Na]+ 405.080558 189.7
[M-H]- 381.084064 192.1
[M+NH4]+ 400.125163 195.2
[M+K]+ 421.054498 183.6
[M+H-H2O]+ 365.088600 178.4
[M+HCOO]- 427.089541 210.4
[M+CH3COO]- 441.105191 217.7
[M+Na-2H]- 403.066006 189.9
[M]+ 382.09079142 187.5
[M]- 382.09188858 187.5
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.