CID 362612

Nsc626742

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1C(N(C(C(NC1=O)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O2/c1-13-17(15-9-5-3-6-10-15)22(21-24)18(14(2)20-19(13)23)16-11-7-4-8-12-16/h3-14,17-18H,1-2H3,(H,20,23)
InChIKey
NGMGPYNQJAKUED-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 178.8
[M+Na]+ 346.15262 184.3
[M-H]- 322.15612 186.7
[M+NH4]+ 341.19722 189.1
[M+K]+ 362.12656 184.3
[M+H-H2O]+ 306.16066 168.5
[M+HCOO]- 368.16160 196.9
[M+CH3COO]- 382.17725 188.2
[M+Na-2H]- 344.13807 180.0
[M]+ 323.16285 173.4
[M]- 323.16395 173.4
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.