CID 135787792

Dtxsid901386052

Structural Information

Molecular Formula
C24H27ClN2O2
SMILES
CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)C(=C(C=C2)O)N=NC3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C24H27ClN2O2/c1-23(2,3)14-24(4,5)16-7-9-18-15(12-16)6-10-21(29)22(18)27-26-19-13-17(25)8-11-20(19)28/h6-13,28-29H,14H2,1-5H3
InChIKey
YWJKZXDRXFEJFZ-UHFFFAOYSA-N
Compound name
1-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.17612 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18340 203.0
[M+Na]+ 433.16534 211.1
[M-H]- 409.16884 210.7
[M+NH4]+ 428.20994 215.7
[M+K]+ 449.13928 204.9
[M+H-H2O]+ 393.17338 195.3
[M+HCOO]- 455.17432 218.3
[M+CH3COO]- 469.18997 232.0
[M+Na-2H]- 431.15079 207.4
[M]+ 410.17557 208.2
[M]- 410.17667 208.2
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.