CID 376286

Nsc657000

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1C(N(C(C(C1=NO)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O2/c1-13-17(20-23)14(2)19(16-11-7-4-8-12-16)22(21-24)18(13)15-9-5-3-6-10-15/h3-14,18-19,23H,1-2H3
InChIKey
OKZJJNGCIWTGDK-UHFFFAOYSA-N
Compound name
N-(3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 177.4
[M+Na]+ 346.15262 183.9
[M-H]- 322.15612 187.0
[M+NH4]+ 341.19722 190.2
[M+K]+ 362.12656 179.4
[M+H-H2O]+ 306.16066 166.9
[M+HCOO]- 368.16160 200.0
[M+CH3COO]- 382.17725 216.9
[M+Na-2H]- 344.13807 180.1
[M]+ 323.16285 175.6
[M]- 323.16395 175.6
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.