CID 127701

Dichlotran k

Structural Information

Molecular Formula
C26H24N2O
SMILES
CC1=C(C(=CC=C1)C2=C(C(=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)C)C)C
InChI
InChI=1S/C26H24N2O/c1-16-8-7-11-21(17(16)2)22-13-14-24(19(4)18(22)3)27-28-26-23-10-6-5-9-20(23)12-15-25(26)29/h5-15,29H,1-4H3
InChIKey
XYMXGLSKYJFPJR-UHFFFAOYSA-N
Compound name
1-[[4-(2,3-dimethylphenyl)-2,3-dimethylphenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.18887 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19615 196.3
[M+Na]+ 403.17809 205.5
[M-H]- 379.18159 208.9
[M+NH4]+ 398.22269 209.6
[M+K]+ 419.15203 199.0
[M+H-H2O]+ 363.18613 185.4
[M+HCOO]- 425.18707 221.0
[M+CH3COO]- 439.20272 207.4
[M+Na-2H]- 401.16354 199.4
[M]+ 380.18832 199.1
[M]- 380.18942 199.1
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

No patent data available for this compound.