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]+ 296.13936 169.8
[M+Na]+ 318.12130 174.4
[M-H]- 294.12480 177.2
[M+NH4]+ 313.16590 180.6
[M+K]+ 334.09524 174.5
[M+H-H2O]+ 278.12934 159.5
[M+HCOO]- 340.13028 188.6
[M+CH3COO]- 354.14593 179.3
[M+Na-2H]- 316.10675 173.4
[M]+ 295.13153 163.0
[M]- 295.13263 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.