CID 9571462

Nsc666702

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC1(C\2CC3CC1(CC(C3=NO)/C2=N/O)C4=CC=CC=C4)O
InChI
InChI=1S/C17H20N2O3/c1-16(20)13-7-10-8-17(16,11-5-3-2-4-6-11)9-12(14(10)18-21)15(13)19-22/h2-6,10,12-13,20-22H,7-9H2,1H3/b18-14?,19-15-
InChIKey
MDLWZWJEYGSWQC-QNEBITINSA-N
Compound name
(4Z)-4,6-bis(hydroxyimino)-2-methyl-1-phenyladamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 165.1
[M+Na]+ 323.13662 169.0
[M-H]- 299.14012 162.7
[M+NH4]+ 318.18122 188.0
[M+K]+ 339.11056 164.8
[M+H-H2O]+ 283.14466 157.5
[M+HCOO]- 345.14560 173.3
[M+CH3COO]- 359.16125 173.1
[M+Na-2H]- 321.12207 177.0
[M]+ 300.14685 165.4
[M]- 300.14795 165.4
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.