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]+ 383.09862 183.4
[M+Na]+ 405.08056 189.7
[M-H]- 381.08406 192.1
[M+NH4]+ 400.12516 195.2
[M+K]+ 421.05450 183.6
[M+H-H2O]+ 365.08860 178.4
[M+HCOO]- 427.08954 210.4
[M+CH3COO]- 441.10519 217.7
[M+Na-2H]- 403.06601 189.9
[M]+ 382.09079 187.5
[M]- 382.09189 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.