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 182.9
[M+Na]+ 389.12202 189.6
[M-H]- 365.12552 191.2
[M+NH4]+ 384.16662 196.2
[M+K]+ 405.09596 186.7
[M+H-H2O]+ 349.13006 173.1
[M+HCOO]- 411.13100 210.1
[M+CH3COO]- 425.14665 223.9
[M+Na-2H]- 387.10747 187.8
[M]+ 366.13225 188.1
[M]- 366.13335 188.1
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.