CID 10883546

83863-70-1

Structural Information

Molecular Formula
C17H24ClN3O5
SMILES
CCOC(=O)N1CC[C@H]([C@H](C1)OC)NC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI
InChI=1S/C17H24ClN3O5/c1-4-26-17(23)21-6-5-13(15(9-21)25-3)20-16(22)10-7-11(18)12(19)8-14(10)24-2/h7-8,13,15H,4-6,9,19H2,1-3H3,(H,20,22)/t13-,15+/m1/s1
InChIKey
VRLUWZOUAURBSK-HIFRSBDPSA-N
Compound name
ethyl (3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

385.14044 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.147716 188.7
[M+Na]+ 408.129658 194.1
[M-H]- 384.133164 193.3
[M+NH4]+ 403.174263 199.3
[M+K]+ 424.103598 191.3
[M+H-H2O]+ 368.137700 180.7
[M+HCOO]- 430.138641 202.8
[M+CH3COO]- 444.154291 223.1
[M+Na-2H]- 406.115106 186.3
[M]+ 385.13989142 191.3
[M]- 385.14098858 191.3
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

patents stripe