CID 9571464

Nsc666705

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC1C\2CC\3(CC(/C2=N\O)/C(=N\O)/C1/C3=C\O)C4=CC=CC=C4
InChI
InChI=1S/C18H20N2O3/c1-10-12-7-18(11-5-3-2-4-6-11)8-13(16(12)19-22)17(20-23)15(10)14(18)9-21/h2-6,9-10,12-13,15,21-23H,7-8H2,1H3/b14-9+,19-16-,20-17+
InChIKey
YCFOOQRHISCOAO-KQWUBOBWSA-N
Compound name
(E)-[(4Z,6Z)-4,6-bis(hydroxyimino)-10-methyl-1-phenyl-2-adamantylidene]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 168.2
[M+Na]+ 335.13662 171.5
[M-H]- 311.14012 165.7
[M+NH4]+ 330.18122 189.0
[M+K]+ 351.11056 166.8
[M+H-H2O]+ 295.14466 161.1
[M+HCOO]- 357.14560 176.3
[M+CH3COO]- 371.16125 175.8
[M+Na-2H]- 333.12207 178.1
[M]+ 312.14685 168.0
[M]- 312.14795 168.0
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.