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
3
Annotation Hits

0
References

4116
Patents

230.21066 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.217936 160.5
[M+Na]+ 253.199878 162.7
[M-H]- 229.203384 162.7
[M+NH4]+ 248.244483 178.5
[M+K]+ 269.173818 164.3
[M+H-H2O]+ 213.207920 152.7
[M+HCOO]- 275.208861 187.0
[M+CH3COO]- 289.224511 209.7
[M+Na-2H]- 251.185326 162.8
[M]+ 230.21011142 162.8
[M]- 230.21120858 162.8
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