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]+ 283.17648 168.5
[M+Na]+ 305.15842 172.2
[M-H]- 281.16192 167.7
[M+NH4]+ 300.20302 182.0
[M+K]+ 321.13236 170.5
[M+H-H2O]+ 265.16646 160.4
[M+HCOO]- 327.16740 188.0
[M+CH3COO]- 341.18305 200.0
[M+Na-2H]- 303.14387 171.3
[M]+ 282.16865 168.9
[M]- 282.16975 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