CID 1416127

341975-22-2

Structural Information

Molecular Formula
C19H17N3O4
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H17N3O4/c1-26-17(24)12-22-15-10-6-5-9-14(15)18(19(22)25)21-20-16(23)11-13-7-3-2-4-8-13/h2-10,25H,11-12H2,1H3
InChIKey
WFTIQMVZCGPGHU-UHFFFAOYSA-N
Compound name
methyl 2-[2-hydroxy-3-[(2-phenylacetyl)diazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.12192 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12920 180.5
[M+Na]+ 374.11114 188.2
[M-H]- 350.11464 188.9
[M+NH4]+ 369.15574 194.8
[M+K]+ 390.08508 185.1
[M+H-H2O]+ 334.11918 171.1
[M+HCOO]- 396.12012 206.7
[M+CH3COO]- 410.13577 218.6
[M+Na-2H]- 372.09659 184.6
[M]+ 351.12137 186.4
[M]- 351.12247 186.4
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.