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

1
Patents

282.1692 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.17648 167.1
[M+Na]+ 305.15842 172.1
[M+NH4]+ 300.20302 170.4
[M+K]+ 321.13236 171.6
[M-H]- 281.16192 164.5
[M+Na-2H]- 303.14387 168.5
[M]+ 282.16865 166.3
[M]- 282.16975 166.3
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