CID 362615

Nsc626745

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1C(N(C(CNC1=O)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2/c21-17-11-15(13-7-3-1-4-8-13)20(19-22)16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,21)
InChIKey
KKRMFFAUUDPTSQ-UHFFFAOYSA-N
Compound name
1-nitroso-2,7-diphenyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 169.8
[M+Na]+ 318.121298 174.4
[M-H]- 294.124804 177.2
[M+NH4]+ 313.165903 180.6
[M+K]+ 334.095238 174.5
[M+H-H2O]+ 278.129340 159.5
[M+HCOO]- 340.130281 188.6
[M+CH3COO]- 354.145931 179.3
[M+Na-2H]- 316.106746 173.4
[M]+ 295.13153142 163.0
[M]- 295.13262858 163.0
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.