CID 5017786

461710-21-4

Structural Information

Molecular Formula
C18H14ClN3O4
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H14ClN3O4/c1-26-15(23)10-22-14-8-3-2-7-13(14)16(18(22)25)20-21-17(24)11-5-4-6-12(19)9-11/h2-9,25H,10H2,1H3
InChIKey
DQGBIDBPSFFISM-UHFFFAOYSA-N
Compound name
methyl 2-[3-[(3-chlorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07458 183.6
[M+Na]+ 394.05652 193.6
[M-H]- 370.06002 192.5
[M+NH4]+ 389.10112 198.4
[M+K]+ 410.03046 189.1
[M+H-H2O]+ 354.06456 175.4
[M+HCOO]- 416.06550 205.6
[M+CH3COO]- 430.08115 220.4
[M+Na-2H]- 392.04197 187.0
[M]+ 371.06675 192.1
[M]- 371.06785 192.1
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.