CID 135554475

3-methyl-5-phenyl-(4'-methyl)-quinolenodiazepine

Structural Information

Molecular Formula
C20H17N3
SMILES
CC1=NNC2=NC3=CC=CC=C3C(=C2C(=C1)C4=CC=CC=C4)C
InChI
InChI=1S/C20H17N3/c1-13-12-17(15-8-4-3-5-9-15)19-14(2)16-10-6-7-11-18(16)21-20(19)23-22-13/h3-12H,1-2H3,(H,21,23)
InChIKey
KRYJVWZACSKCCX-UHFFFAOYSA-N
Compound name
3,6-dimethyl-5-phenyl-1H-diazepino[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.14224 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 173.9
[M+Na]+ 322.13146 190.0
[M+NH4]+ 317.17606 182.1
[M+K]+ 338.10540 181.5
[M-H]- 298.13496 178.6
[M+Na-2H]- 320.11691 182.8
[M]+ 299.14169 177.9
[M]- 299.14279 177.9
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.