CID 9571461

Nsc666701

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CC1C\2CC3(CC(/C2=N\O)/C(=N\O)/C1C3(C)O)C4=CC=CC=C4
InChI
InChI=1S/C18H22N2O3/c1-10-12-8-18(11-6-4-3-5-7-11)9-13(15(12)19-22)16(20-23)14(10)17(18,2)21/h3-7,10,12-14,21-23H,8-9H2,1-2H3/b19-15-,20-16+
InChIKey
KJYQOKLPJNZWMD-VBGLAJCLSA-N
Compound name
(4E,6Z)-4,6-bis(hydroxyimino)-2,10-dimethyl-1-phenyladamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 170.6
[M+Na]+ 337.15228 174.8
[M-H]- 313.15578 168.2
[M+NH4]+ 332.19688 193.2
[M+K]+ 353.12622 170.5
[M+H-H2O]+ 297.16032 163.0
[M+HCOO]- 359.16126 178.2
[M+CH3COO]- 373.17691 178.3
[M+Na-2H]- 335.13773 181.2
[M]+ 314.16251 171.4
[M]- 314.16361 171.4
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.