CID 15157893

Tert-butyl n-{2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]ethyl}carbamate

Structural Information

Molecular Formula
C14H29N3O4
SMILES
CC(C)(C)OC(=O)NCCNCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17-12(19)21-14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKey
KNORWRWRHNHJAV-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

303.21582 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22310 175.4
[M+Na]+ 326.20504 177.7
[M-H]- 302.20854 174.9
[M+NH4]+ 321.24964 189.8
[M+K]+ 342.17898 178.4
[M+H-H2O]+ 286.21308 169.1
[M+HCOO]- 348.21402 195.9
[M+CH3COO]- 362.22967 211.1
[M+Na-2H]- 324.19049 178.7
[M]+ 303.21527 178.6
[M]- 303.21637 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe