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

8
Patents

265.17902 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.18630 164.9
[M+Na]+ 288.16824 172.3
[M+NH4]+ 283.21284 170.9
[M+K]+ 304.14218 166.3
[M-H]- 264.17174 167.0
[M+Na-2H]- 286.15369 169.3
[M]+ 265.17847 166.0
[M]- 265.17957 166.0
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