CID 6375213

Nsc656998

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC\1C(N(C(C/C1=N\O)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2/c1-13-16(19-22)12-17(14-8-4-2-5-9-14)21(20-23)18(13)15-10-6-3-7-11-15/h2-11,13,17-18,22H,12H2,1H3/b19-16+
InChIKey
DEOWNWVIOCEVCD-KNTRCKAVSA-N
Compound name
(NE)-N-(3-methyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 172.5
[M+Na]+ 332.13696 178.4
[M-H]- 308.14046 181.8
[M+NH4]+ 327.18156 185.5
[M+K]+ 348.11090 174.1
[M+H-H2O]+ 292.14500 161.9
[M+HCOO]- 354.14594 195.4
[M+CH3COO]- 368.16159 212.7
[M+Na-2H]- 330.12241 176.4
[M]+ 309.14719 169.8
[M]- 309.14829 169.8
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.