CID 3407

Fominoben

Structural Information

Molecular Formula
C21H24ClN3O3
SMILES
CN(CC1=C(C=CC=C1Cl)NC(=O)C2=CC=CC=C2)CC(=O)N3CCOCC3
InChI
InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)
InChIKey
KSNNEUZOAFRTDS-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

1698
Patents

401.1506 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.15788 197.0
[M+Na]+ 424.13982 199.6
[M-H]- 400.14332 205.7
[M+NH4]+ 419.18442 205.0
[M+K]+ 440.11376 196.4
[M+H-H2O]+ 384.14786 186.4
[M+HCOO]- 446.14880 210.7
[M+CH3COO]- 460.16445 227.0
[M+Na-2H]- 422.12527 197.6
[M]+ 401.15005 197.3
[M]- 401.15115 197.3
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