CID 1418894

496774-62-0

Structural Information

Molecular Formula
C19H16N4O7
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C19H16N4O7/c1-29-17(25)10-22-13-7-3-2-6-12(13)18(19(22)26)21-20-16(24)11-30-15-9-5-4-8-14(15)23(27)28/h2-9,26H,10-11H2,1H3
InChIKey
OEZUDRMKHMMOAA-UHFFFAOYSA-N
Compound name
methyl 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

412.1019 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.10918 190.2
[M+Na]+ 435.09112 195.6
[M-H]- 411.09462 198.6
[M+NH4]+ 430.13572 200.5
[M+K]+ 451.06506 190.1
[M+H-H2O]+ 395.09916 184.7
[M+HCOO]- 457.10010 216.9
[M+CH3COO]- 471.11575 222.9
[M+Na-2H]- 433.07657 196.6
[M]+ 412.10135 195.8
[M]- 412.10245 195.8
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.