CID 362901

Nsc627376

Structural Information

Molecular Formula
C22H27NO4
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C22H27NO4/c1-21(2,3)15-12-17(20(27-7)18(13-15)22(4,5)6)19(24)14-8-10-16(11-9-14)23(25)26/h8-13H,1-7H3
InChIKey
ZAKXVLKPKLFGSV-UHFFFAOYSA-N
Compound name
(3,5-ditert-butyl-2-methoxyphenyl)-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.194 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 188.0
[M+Na]+ 392.18322 193.9
[M-H]- 368.18672 195.1
[M+NH4]+ 387.22782 200.1
[M+K]+ 408.15716 187.2
[M+H-H2O]+ 352.19126 185.3
[M+HCOO]- 414.19220 207.2
[M+CH3COO]- 428.20785 215.3
[M+Na-2H]- 390.16867 192.2
[M]+ 369.19345 190.6
[M]- 369.19455 190.6
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.