CID 119310844

Dtxsid901365919

Structural Information

Molecular Formula
C19H30N4O2
SMILES
CCCC(C(=O)N1CCCC(C1)CNC(=O)NC2=CC=C(C=C2)C)N
InChI
InChI=1S/C19H30N4O2/c1-3-5-17(20)18(24)23-11-4-6-15(13-23)12-21-19(25)22-16-9-7-14(2)8-10-16/h7-10,15,17H,3-6,11-13,20H2,1-2H3,(H2,21,22,25)
InChIKey
ZDKZQBIEZFZARB-UHFFFAOYSA-N
Compound name
1-[[1-(2-aminopentanoyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.23688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.244156 186.8
[M+Na]+ 369.226098 187.2
[M-H]- 345.229604 190.0
[M+NH4]+ 364.270703 197.0
[M+K]+ 385.200038 184.1
[M+H-H2O]+ 329.234140 177.2
[M+HCOO]- 391.235081 204.2
[M+CH3COO]- 405.250731 221.0
[M+Na-2H]- 367.211546 184.8
[M]+ 346.23633142 180.9
[M]- 346.23742858 180.9
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.