CID 469946

2-[2-(1-carbamoylpropylamino)ethylamino]butanamide

Structural Information

Molecular Formula
C10H22N4O2
SMILES
CCC(C(=O)N)NCCNC(CC)C(=O)N
InChI
InChI=1S/C10H22N4O2/c1-3-7(9(11)15)13-5-6-14-8(4-2)10(12)16/h7-8,13-14H,3-6H2,1-2H3,(H2,11,15)(H2,12,16)
InChIKey
XPKPKNSPJRYRCS-UHFFFAOYSA-N
Compound name
2-[2-[(1-amino-1-oxobutan-2-yl)amino]ethylamino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.17427 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18155 157.7
[M+Na]+ 253.16349 159.3
[M-H]- 229.16699 156.2
[M+NH4]+ 248.20809 173.3
[M+K]+ 269.13743 159.3
[M+H-H2O]+ 213.17153 150.3
[M+HCOO]- 275.17247 179.7
[M+CH3COO]- 289.18812 204.2
[M+Na-2H]- 251.14894 156.2
[M]+ 230.17372 153.8
[M]- 230.17482 153.8
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

No patent data available for this compound.