CID 495782

Nsc667866

Structural Information

Molecular Formula
C24H26N2O4
SMILES
CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C(=CC2=O)NC(C)C(C3=CC=CC=C3)O
InChI
InChI=1S/C24H26N2O4/c1-15(23(29)17-9-5-3-6-10-17)25-19-13-22(28)20(14-21(19)27)26-16(2)24(30)18-11-7-4-8-12-18/h3-16,23-26,29-30H,1-2H3
InChIKey
FUKRUPBHVFHBLV-UHFFFAOYSA-N
Compound name
2,5-bis[(1-hydroxy-1-phenylpropan-2-yl)amino]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 197.3
[M+Na]+ 429.17849 198.5
[M-H]- 405.18199 203.4
[M+NH4]+ 424.22309 204.6
[M+K]+ 445.15243 194.7
[M+H-H2O]+ 389.18653 187.6
[M+HCOO]- 451.18747 214.2
[M+CH3COO]- 465.20312 228.0
[M+Na-2H]- 427.16394 195.1
[M]+ 406.18872 193.7
[M]- 406.18982 193.7
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.