CID 59324

Brn 0353877

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O3/c1-2-27-19(25)21(16-6-4-3-5-7-16)12-14-24(15-13-21)20(26)23-18-10-8-17(22)9-11-18/h3-11H,2,12-15,22H2,1H3,(H,23,26)
InChIKey
GYNZWXDJSTWDBD-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-aminophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.196876 189.1
[M+Na]+ 390.178818 191.8
[M-H]- 366.182324 195.8
[M+NH4]+ 385.223423 200.1
[M+K]+ 406.152758 188.0
[M+H-H2O]+ 350.186860 178.8
[M+HCOO]- 412.187801 207.2
[M+CH3COO]- 426.203451 218.5
[M+Na-2H]- 388.164266 190.5
[M]+ 367.18905142 184.3
[M]- 367.19014858 184.3
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

No patent data available for this compound.