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 174.6
[M+Na]+ 322.13146 184.2
[M-H]- 298.13496 179.5
[M+NH4]+ 317.17606 186.7
[M+K]+ 338.10540 180.3
[M+H-H2O]+ 282.13950 165.2
[M+HCOO]- 344.14044 190.6
[M+CH3COO]- 358.15609 184.6
[M+Na-2H]- 320.11691 181.6
[M]+ 299.14169 171.5
[M]- 299.14279 171.5
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.