CID 3088658

1-amino-2-bis(n-butylcarbamoyloxyethyl)aminoethane dihydrochloride

Structural Information

Molecular Formula
C16H34N4O4
SMILES
CCCCNC(=O)OCCN(CCN)CCOC(=O)NCCCC
InChI
InChI=1S/C16H34N4O4/c1-3-5-8-18-15(21)23-13-11-20(10-7-17)12-14-24-16(22)19-9-6-4-2/h3-14,17H2,1-2H3,(H,18,21)(H,19,22)
InChIKey
DDORTSYMZFRMOQ-UHFFFAOYSA-N
Compound name
2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

346.258 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26528 187.6
[M+Na]+ 369.24722 187.4
[M-H]- 345.25072 186.9
[M+NH4]+ 364.29182 199.8
[M+K]+ 385.22116 187.9
[M+H-H2O]+ 329.25526 178.5
[M+HCOO]- 391.25620 211.4
[M+CH3COO]- 405.27185 225.6
[M+Na-2H]- 367.23267 186.5
[M]+ 346.25745 192.2
[M]- 346.25855 192.2
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