CID 362613

Nsc626743

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC(C)C1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O2/c1-14(2)19-20(16-11-7-4-8-12-16)23(22-25)17(13-18(24)21-19)15-9-5-3-6-10-15/h3-12,14,17,19-20H,13H2,1-2H3,(H,21,24)
InChIKey
HDJDSSXXUGJKNN-UHFFFAOYSA-N
Compound name
1-nitroso-2,7-diphenyl-3-propan-2-yl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 181.8
[M+Na]+ 360.16824 185.9
[M-H]- 336.17174 189.3
[M+NH4]+ 355.21284 191.3
[M+K]+ 376.14218 186.1
[M+H-H2O]+ 320.17628 171.4
[M+HCOO]- 382.17722 198.8
[M+CH3COO]- 396.19287 215.0
[M+Na-2H]- 358.15369 182.3
[M]+ 337.17847 175.9
[M]- 337.17957 175.9
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.