CID 22322413

298699-15-7

Structural Information

Molecular Formula
C16H22Cl2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H22Cl2N2O2/c1-16(2,3)22-15(21)20-8-6-11(7-9-20)19-12-4-5-13(17)14(18)10-12/h4-5,10-11,19H,6-9H2,1-3H3
InChIKey
HZSDDUWKKKTJSZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3,4-dichloroanilino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

344.10583 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11311 179.7
[M+Na]+ 367.09505 185.9
[M-H]- 343.09855 183.7
[M+NH4]+ 362.13965 193.1
[M+K]+ 383.06899 180.6
[M+H-H2O]+ 327.10309 173.0
[M+HCOO]- 389.10403 187.2
[M+CH3COO]- 403.11968 210.5
[M+Na-2H]- 365.08050 180.5
[M]+ 344.10528 180.4
[M]- 344.10638 180.4
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