CID 3830130

624726-16-5

Structural Information

Molecular Formula
C19H18N4O4
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CNC3=CC=CC=C3
InChI
InChI=1S/C19H18N4O4/c1-27-17(25)12-23-15-10-6-5-9-14(15)18(19(23)26)22-21-16(24)11-20-13-7-3-2-4-8-13/h2-10,20,26H,11-12H2,1H3
InChIKey
ACOBAXXSNGKBAJ-UHFFFAOYSA-N
Compound name
methyl 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14008 185.1
[M+Na]+ 389.12202 195.8
[M+NH4]+ 384.16662 190.4
[M+K]+ 405.09596 191.8
[M-H]- 365.12552 188.8
[M+Na-2H]- 387.10747 191.6
[M]+ 366.13225 187.2
[M]- 366.13335 187.2
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.