CID 458858

6,6''-dihydroxy-4',4'''-biisoxylanilide

Structural Information

Molecular Formula
C30H28N2O4
SMILES
CC1=C(C(=C(C=C1)C)O)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4O)C)C
InChI
InChI=1S/C30H28N2O4/c1-17-5-7-19(3)27(33)25(17)29(35)31-23-13-9-21(10-14-23)22-11-15-24(16-12-22)32-30(36)26-18(2)6-8-20(4)28(26)34/h5-16,33-34H,1-4H3,(H,31,35)(H,32,36)
InChIKey
DQVLBMXKTFWUAB-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[4-[4-[(2-hydroxy-3,6-dimethylbenzoyl)amino]phenyl]phenyl]-3,6-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2049 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21218 220.8
[M+Na]+ 503.19412 226.4
[M-H]- 479.19762 231.5
[M+NH4]+ 498.23872 226.1
[M+K]+ 519.16806 220.7
[M+H-H2O]+ 463.20216 209.4
[M+HCOO]- 525.20310 239.7
[M+CH3COO]- 539.21875 245.0
[M+Na-2H]- 501.17957 217.4
[M]+ 480.20435 221.0
[M]- 480.20545 221.0
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.