CID 104163

1,3-bis[3-(dimethylamino)propyl]urea

Structural Information

Molecular Formula
C11H26N4O
SMILES
CN(C)CCCNC(=O)NCCCN(C)C
InChI
InChI=1S/C11H26N4O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)
InChIKey
FCQPNTOQFPJCMF-UHFFFAOYSA-N
Compound name
1,3-bis[3-(dimethylamino)propyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3516
Patents

230.21066 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21794 159.4
[M+Na]+ 253.19988 164.3
[M+NH4]+ 248.24448 165.2
[M+K]+ 269.17382 160.0
[M-H]- 229.20338 160.2
[M+Na-2H]- 251.18533 161.3
[M]+ 230.21011 159.7
[M]- 230.21121 159.7
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