CID 6434557

57645-72-4

Structural Information

Molecular Formula
C22H26ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)C/C=C/C3=CC=CC=C3)Cl)N
InChI
InChI=1S/C22H26ClN3O2/c1-28-21-15-20(24)19(23)14-18(21)22(27)25-17-9-12-26(13-10-17)11-5-8-16-6-3-2-4-7-16/h2-8,14-15,17H,9-13,24H2,1H3,(H,25,27)/b8-5+
InChIKey
QUMVQQRVWWTXEU-VMPITWQZSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.17136 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17864 198.3
[M+Na]+ 422.16058 202.5
[M-H]- 398.16408 204.8
[M+NH4]+ 417.20518 207.5
[M+K]+ 438.13452 195.3
[M+H-H2O]+ 382.16862 188.2
[M+HCOO]- 444.16956 212.2
[M+CH3COO]- 458.18521 225.5
[M+Na-2H]- 420.14603 197.0
[M]+ 399.17081 196.0
[M]- 399.17191 196.0
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.