CID 9571463

Nsc666704

Structural Information

Molecular Formula
C16H17N3O3
SMILES
C1C\2CC\3(CC(/C2=N/O)/C(=N/O)/C1/C3=N/O)C4=CC=CC=C4
InChI
InChI=1S/C16H17N3O3/c20-17-13-9-6-11-14(18-21)12(13)8-16(7-9,15(11)19-22)10-4-2-1-3-5-10/h1-5,9,11-12,20-22H,6-8H2/b17-13+,18-14+,19-15-
InChIKey
TVUDTBXYAJWSFW-XWMLGGMWSA-N
Compound name
(NZ)-N-[(4Z,6E)-4,6-bis(hydroxyimino)-1-phenyl-2-adamantylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 158.1
[M+Na]+ 322.11620 161.0
[M-H]- 298.11970 156.8
[M+NH4]+ 317.16080 179.4
[M+K]+ 338.09014 157.7
[M+H-H2O]+ 282.12424 150.6
[M+HCOO]- 344.12518 169.5
[M+CH3COO]- 358.14083 166.5
[M+Na-2H]- 320.10165 171.1
[M]+ 299.12643 158.1
[M]- 299.12753 158.1
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.