CID 471639

4-chloro-n-[4-(morpholin-4-ylmethyl)phenyl]benzamide

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2O2/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKey
DKLSGJKBBPSQPZ-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

330.1135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 177.9
[M+Na]+ 353.10272 182.7
[M-H]- 329.10622 185.6
[M+NH4]+ 348.14732 188.7
[M+K]+ 369.07666 178.0
[M+H-H2O]+ 313.11076 168.1
[M+HCOO]- 375.11170 191.6
[M+CH3COO]- 389.12735 187.3
[M+Na-2H]- 351.08817 181.1
[M]+ 330.11295 176.3
[M]- 330.11405 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe