CID 130153955

Benzyl n-{3-[(3-aminopropyl)amino]propyl}carbamate hydrochloride

Structural Information

Molecular Formula
C14H23N3O2
SMILES
C1=CC=C(C=C1)COC(=O)NCCCNCCCN
InChI
InChI=1S/C14H23N3O2/c15-8-4-9-16-10-5-11-17-14(18)19-12-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12,15H2,(H,17,18)
InChIKey
YRJPETSTNJQVLI-UHFFFAOYSA-N
Compound name
benzyl N-[3-(3-aminopropylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

265.17902 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.186296 162.9
[M+Na]+ 288.168238 165.5
[M-H]- 264.171744 164.8
[M+NH4]+ 283.212843 177.9
[M+K]+ 304.142178 162.9
[M+H-H2O]+ 248.176280 154.6
[M+HCOO]- 310.177221 187.8
[M+CH3COO]- 324.192871 203.6
[M+Na-2H]- 286.153686 167.1
[M]+ 265.17847142 162.6
[M]- 265.17956858 162.6
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