CID 6049183

Nsc635188

Structural Information

Molecular Formula
C23H27NO4
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C23H27NO4/c1-22(2,3)18-13-15(14-19(21(18)26)23(4,5)6)7-12-20(25)16-8-10-17(11-9-16)24(27)28/h7-14,26H,1-6H3/b12-7+
InChIKey
RQCFLZRSZPRZCJ-KPKJPENVSA-N
Compound name
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.194 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 191.6
[M+Na]+ 404.18322 196.9
[M-H]- 380.18672 197.2
[M+NH4]+ 399.22782 202.4
[M+K]+ 420.15716 188.6
[M+H-H2O]+ 364.19126 189.1
[M+HCOO]- 426.19220 209.1
[M+CH3COO]- 440.20785 214.0
[M+Na-2H]- 402.16867 194.9
[M]+ 381.19345 191.9
[M]- 381.19455 191.9
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.