CID 1941605

444771-57-7

Structural Information

Molecular Formula
C20H18N4O7
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C20H18N4O7/c1-2-30-18(26)11-23-14-8-4-3-7-13(14)19(20(23)27)22-21-17(25)12-31-16-10-6-5-9-15(16)24(28)29/h3-10,27H,2,11-12H2,1H3
InChIKey
PVUMJDHAPZUEOH-UHFFFAOYSA-N
Compound name
ethyl 2-[2-hydroxy-3-[[2-(2-nitrophenoxy)acetyl]diazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.11755 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12483 195.0
[M+Na]+ 449.10677 199.8
[M-H]- 425.11027 203.1
[M+NH4]+ 444.15137 204.6
[M+K]+ 465.08071 194.1
[M+H-H2O]+ 409.11481 189.2
[M+HCOO]- 471.11575 221.3
[M+CH3COO]- 485.13140 225.8
[M+Na-2H]- 447.09222 200.8
[M]+ 426.11700 200.8
[M]- 426.11810 200.8
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.