CID 10588966

143885-59-0

Structural Information

Molecular Formula
C13H22N4O3
SMILES
CC(C)(C)OC(=O)NCCC(=O)NCCC1=CN=CN1
InChI
InChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16-7-5-11(18)15-6-4-10-8-14-9-17-10/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,18)(H,16,19)
InChIKey
BPYPYTTXWXJQJR-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.1692 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.176476 168.5
[M+Na]+ 305.158418 172.2
[M-H]- 281.161924 167.7
[M+NH4]+ 300.203023 182.0
[M+K]+ 321.132358 170.5
[M+H-H2O]+ 265.166460 160.4
[M+HCOO]- 327.167401 188.0
[M+CH3COO]- 341.183051 200.0
[M+Na-2H]- 303.143866 171.3
[M]+ 282.16865142 168.9
[M]- 282.16974858 168.9
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

patents stripe