CID 4340402

624726-23-4

Structural Information

Molecular Formula
C19H16N4O6
SMILES
CC1=C(C=CC(=C1)C(=O)N=NC2=C(N(C3=CC=CC=C32)CC(=O)OC)O)[N+](=O)[O-]
InChI
InChI=1S/C19H16N4O6/c1-11-9-12(7-8-14(11)23(27)28)18(25)21-20-17-13-5-3-4-6-15(13)22(19(17)26)10-16(24)29-2/h3-9,26H,10H2,1-2H3
InChIKey
BJKARROATFBISS-UHFFFAOYSA-N
Compound name
methyl 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

396.107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11428 188.3
[M+Na]+ 419.09622 200.3
[M+NH4]+ 414.14082 192.8
[M+K]+ 435.07016 199.9
[M-H]- 395.09972 192.4
[M+Na-2H]- 417.08167 193.5
[M]+ 396.10645 190.7
[M]- 396.10755 190.7
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.