CID 3058859

2-chloro-3-((dimethylamino)methylene)-3,4-dihydro-1-methyl-4-phenylquinolinium methyl sulfate

Structural Information

Molecular Formula
C19H20ClN2
SMILES
CN1C2=CC=CC=C2C(C(=C1Cl)C=[N+](C)C)C3=CC=CC=C3
InChI
InChI=1S/C19H20ClN2/c1-21(2)13-16-18(14-9-5-4-6-10-14)15-11-7-8-12-17(15)22(3)19(16)20/h4-13,18H,1-3H3/q+1
InChIKey
KASIBWDCRYZJCX-UHFFFAOYSA-N
Compound name
(2-chloro-1-methyl-4-phenyl-4H-quinolin-3-yl)methylidene-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1315 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13878 176.0
[M+Na]+ 334.12072 184.4
[M-H]- 310.12422 183.3
[M+NH4]+ 329.16532 191.5
[M+K]+ 350.09466 172.4
[M+H-H2O]+ 294.12876 170.0
[M+HCOO]- 356.12970 192.2
[M+CH3COO]- 370.14535 205.8
[M+Na-2H]- 332.10617 181.7
[M]+ 311.13095 176.9
[M]- 311.13205 176.9
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.