CID 9973981

Difencloxazine hydrochloride

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
C1COCCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNO2/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)23-15-12-21-10-13-22-14-11-21/h1-9,19H,10-15H2
InChIKey
CQDJBGPGXJWZTD-UHFFFAOYSA-N
Compound name
4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

331.1339 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 178.5
[M+Na]+ 354.12312 182.4
[M-H]- 330.12662 185.5
[M+NH4]+ 349.16772 189.3
[M+K]+ 370.09706 178.1
[M+H-H2O]+ 314.13116 168.4
[M+HCOO]- 376.13210 190.6
[M+CH3COO]- 390.14775 187.5
[M+Na-2H]- 352.10857 181.4
[M]+ 331.13335 178.1
[M]- 331.13445 178.1
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

patents stripe