CID 3058861

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

Structural Information

Molecular Formula
C21H22ClN2O
SMILES
CN1C2=CC=CC=C2C(C(=C1Cl)C=[N+]3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H22ClN2O/c1-23-19-10-6-5-9-17(19)20(16-7-3-2-4-8-16)18(21(23)22)15-24-11-13-25-14-12-24/h2-10,15,20H,11-14H2,1H3/q+1
InChIKey
BRSZNHNOLLCDJU-UHFFFAOYSA-N
Compound name
4-[(2-chloro-1-methyl-4-phenyl-4H-quinolin-3-yl)methylidene]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14206 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14934 189.8
[M+Na]+ 376.13128 196.1
[M-H]- 352.13478 196.8
[M+NH4]+ 371.17588 199.5
[M+K]+ 392.10522 183.9
[M+H-H2O]+ 336.13932 180.9
[M+HCOO]- 398.14026 198.4
[M+CH3COO]- 412.15591 205.7
[M+Na-2H]- 374.11673 194.1
[M]+ 353.14151 186.1
[M]- 353.14261 186.1
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.