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]+ 368.19688 189.1
[M+Na]+ 390.17882 191.8
[M-H]- 366.18232 195.8
[M+NH4]+ 385.22342 200.1
[M+K]+ 406.15276 188.0
[M+H-H2O]+ 350.18686 178.8
[M+HCOO]- 412.18780 207.2
[M+CH3COO]- 426.20345 218.5
[M+Na-2H]- 388.16427 190.5
[M]+ 367.18905 184.3
[M]- 367.19015 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.