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]+ 300.149516 174.6
[M+Na]+ 322.131458 184.2
[M-H]- 298.134964 179.5
[M+NH4]+ 317.176063 186.7
[M+K]+ 338.105398 180.3
[M+H-H2O]+ 282.139500 165.2
[M+HCOO]- 344.140441 190.6
[M+CH3COO]- 358.156091 184.6
[M+Na-2H]- 320.116906 181.6
[M]+ 299.14169142 171.5
[M]- 299.14278858 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.