CID 42499

57645-49-5

Structural Information

Molecular Formula
C13H18ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCNCC2)Cl)N
InChI
InChI=1S/C13H18ClN3O2/c1-19-12-7-11(15)10(14)6-9(12)13(18)17-8-2-4-16-5-3-8/h6-8,16H,2-5,15H2,1H3,(H,17,18)
InChIKey
RUQHFNWNPDBISK-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-piperidin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

283.10876 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.116036 164.6
[M+Na]+ 306.097978 169.9
[M-H]- 282.101484 167.5
[M+NH4]+ 301.142583 178.4
[M+K]+ 322.071918 164.8
[M+H-H2O]+ 266.106020 157.3
[M+HCOO]- 328.106961 178.7
[M+CH3COO]- 342.122611 200.5
[M+Na-2H]- 304.083426 165.8
[M]+ 283.10821142 160.2
[M]- 283.10930858 160.2
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