CID 136393672

Tzi-41078

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=NO)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO2/c1-20(2,3)16-12-15(13-17(19(16)23)21(4,5)6)18(22-24)14-10-8-7-9-11-14/h7-13,23-24H,1-6H3
InChIKey
QNPNRSMUYWHWJK-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(N-hydroxy-C-phenylcarbonimidoyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

325.2042 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.211476 180.1
[M+Na]+ 348.193418 186.1
[M-H]- 324.196924 185.7
[M+NH4]+ 343.238023 193.9
[M+K]+ 364.167358 182.2
[M+H-H2O]+ 308.201460 173.2
[M+HCOO]- 370.202401 198.1
[M+CH3COO]- 384.218051 212.0
[M+Na-2H]- 346.178866 183.0
[M]+ 325.20365142 180.6
[M]- 325.20474858 180.6
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.