CID 79651

5517-32-8

Structural Information

Molecular Formula
C22H22N4O
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C22H22N4O/c1-22(2,3)16-9-14-21(27)20(15-16)26-25-19-12-10-18(11-13-19)24-23-17-7-5-4-6-8-17/h4-15,27H,1-3H3
InChIKey
BWVSXJCXZQBCNI-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.17935 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18663 187.3
[M+Na]+ 381.16857 193.4
[M-H]- 357.17207 200.9
[M+NH4]+ 376.21317 200.5
[M+K]+ 397.14251 189.6
[M+H-H2O]+ 341.17661 176.1
[M+HCOO]- 403.17755 217.5
[M+CH3COO]- 417.19320 231.6
[M+Na-2H]- 379.15402 195.1
[M]+ 358.17880 189.6
[M]- 358.17990 189.6
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