CID 362614

Nsc626744

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2/c1-13-18(15-10-6-3-7-11-15)21(20-23)16(12-17(22)19-13)14-8-4-2-5-9-14/h2-11,13,16,18H,12H2,1H3,(H,19,22)
InChIKey
QQAIQSYUNZHALI-UHFFFAOYSA-N
Compound name
3-methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 174.3
[M+Na]+ 332.13696 179.4
[M-H]- 308.14046 182.0
[M+NH4]+ 327.18156 184.9
[M+K]+ 348.11090 179.4
[M+H-H2O]+ 292.14500 164.0
[M+HCOO]- 354.14594 192.8
[M+CH3COO]- 368.16159 183.8
[M+Na-2H]- 330.12241 176.7
[M]+ 309.14719 168.3
[M]- 309.14829 168.3
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.