CID 136033706

Bis(xylylazo)resorcinol

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC1=CC(=C(C=C1)N=NC2=CC(=C(C=C2O)O)N=NC3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C22H22N4O2/c1-13-5-7-17(15(3)9-13)23-25-19-11-20(22(28)12-21(19)27)26-24-18-8-6-14(2)10-16(18)4/h5-12,27-28H,1-4H3
InChIKey
XSNMLNOQYBFHPX-UHFFFAOYSA-N
Compound name
4,6-bis[(2,4-dimethylphenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1743 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 192.6
[M+Na]+ 397.16352 201.2
[M-H]- 373.16702 206.2
[M+NH4]+ 392.20812 205.4
[M+K]+ 413.13746 197.2
[M+H-H2O]+ 357.17156 181.6
[M+HCOO]- 419.17250 223.0
[M+CH3COO]- 433.18815 236.8
[M+Na-2H]- 395.14897 196.2
[M]+ 374.17375 196.7
[M]- 374.17485 196.7
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.