CID 91834

Einecs 260-151-5

Structural Information

Molecular Formula
C21H19N5O2
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)O)N=NC3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C21H19N5O2/c1-14-13-19(25-23-18-7-10-20(28)11-8-18)9-12-21(14)26-24-17-5-3-16(4-6-17)22-15(2)27/h3-13,28H,1-2H3,(H,22,27)
InChIKey
PXZNMDUMLOIFTI-UHFFFAOYSA-N
Compound name
N-[4-[[4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

373.15387 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16115 188.8
[M+Na]+ 396.14309 194.6
[M-H]- 372.14659 202.7
[M+NH4]+ 391.18769 200.9
[M+K]+ 412.11703 191.5
[M+H-H2O]+ 356.15113 176.9
[M+HCOO]- 418.15207 221.2
[M+CH3COO]- 432.16772 237.0
[M+Na-2H]- 394.12854 195.1
[M]+ 373.15332 191.0
[M]- 373.15442 191.0
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.