CID 4989279

624725-35-5

Structural Information

Molecular Formula
C20H18N4O6
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C
InChI
InChI=1S/C20H18N4O6/c1-3-30-17(25)11-23-16-7-5-4-6-14(16)18(20(23)27)21-22-19(26)13-8-9-15(24(28)29)12(2)10-13/h4-10,27H,3,11H2,1-2H3
InChIKey
HMDHUMABUTYSPI-UHFFFAOYSA-N
Compound name
ethyl 2-[2-hydroxy-3-[(3-methyl-4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.12262 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12990 193.3
[M+Na]+ 433.11184 199.5
[M-H]- 409.11534 201.9
[M+NH4]+ 428.15644 204.2
[M+K]+ 449.08578 193.0
[M+H-H2O]+ 393.11988 188.1
[M+HCOO]- 455.12082 219.5
[M+CH3COO]- 469.13647 224.9
[M+Na-2H]- 431.09729 198.1
[M]+ 410.12207 198.4
[M]- 410.12317 198.4
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.