CID 9571504

Nsc674058

Structural Information

Molecular Formula
C23H24N2O3
SMILES
CC1(C\2C(C\3CC1(CC(/C3=N\O)/C2=N\O)C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C23H24N2O3/c1-22(26)19-18(14-8-4-2-5-9-14)16-12-23(22,15-10-6-3-7-11-15)13-17(20(16)24-27)21(19)25-28/h2-11,16-19,26-28H,12-13H2,1H3/b24-20-,25-21+
InChIKey
XVKJPOGXKSJDLK-FXYBLIFYSA-N
Compound name
(4E,6Z)-4,6-bis(hydroxyimino)-2-methyl-1,10-diphenyladamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.17868 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 183.2
[M+Na]+ 399.16790 186.4
[M-H]- 375.17140 183.6
[M+NH4]+ 394.21250 202.6
[M+K]+ 415.14184 181.1
[M+H-H2O]+ 359.17594 172.7
[M+HCOO]- 421.17688 190.6
[M+CH3COO]- 435.19253 189.8
[M+Na-2H]- 397.15335 193.6
[M]+ 376.17813 183.1
[M]- 376.17923 183.1
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.