CID 82995

12236-64-5

Structural Information

Molecular Formula
C26H20ClN5O4
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)N)Cl
InChI
InChI=1S/C26H20ClN5O4/c1-14(33)29-17-7-9-18(10-8-17)30-26(36)20-12-15-4-2-3-5-19(15)23(24(20)34)32-31-22-13-16(25(28)35)6-11-21(22)27/h2-13,34H,1H3,(H2,28,35)(H,29,33)(H,30,36)
InChIKey
UHZVOVCIPHZPEI-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

501.1204 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.12768 219.5
[M+Na]+ 524.10962 231.7
[M+NH4]+ 519.15422 224.5
[M+K]+ 540.08356 224.4
[M-H]- 500.11312 227.5
[M+Na-2H]- 522.09507 227.3
[M]+ 501.11985 223.5
[M]- 501.12095 223.5
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

patents stripe