CID 22625

Disperse orange 13

Structural Information

Molecular Formula
C22H16N4O
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC=C(C=C4)O
InChI
InChI=1S/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H
InChIKey
FWTBRYBHCBCJEQ-UHFFFAOYSA-N
Compound name
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

10402
Patents

352.13242 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13970 180.2
[M+Na]+ 375.12164 187.1
[M-H]- 351.12514 194.4
[M+NH4]+ 370.16624 194.1
[M+K]+ 391.09558 182.2
[M+H-H2O]+ 335.12968 168.4
[M+HCOO]- 397.13062 211.5
[M+CH3COO]- 411.14627 192.0
[M+Na-2H]- 373.10709 190.7
[M]+ 352.13187 181.7
[M]- 352.13297 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe