CID 357144

Nsc615042

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CN1CC(=O)NC2C3=CC=CC=C3N(C=C2C1=O)CC4=CC=CC=C4
InChI
InChI=1S/C20H19N3O2/c1-22-13-18(24)21-19-15-9-5-6-10-17(15)23(12-16(19)20(22)25)11-14-7-3-2-4-8-14/h2-10,12,19H,11,13H2,1H3,(H,21,24)
InChIKey
BBGTYAXHQWOYRC-UHFFFAOYSA-N
Compound name
7-benzyl-4-methyl-3,11b-dihydro-1H-[1,4]diazepino[6,5-c]quinoline-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 182.0
[M+Na]+ 356.13696 189.6
[M-H]- 332.14046 186.2
[M+NH4]+ 351.18156 192.5
[M+K]+ 372.11090 186.6
[M+H-H2O]+ 316.14500 172.0
[M+HCOO]- 378.14594 194.5
[M+CH3COO]- 392.16159 190.5
[M+Na-2H]- 354.12241 185.4
[M]+ 333.14719 176.6
[M]- 333.14829 176.6
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.