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

3769
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 160.5
[M+Na]+ 253.19988 162.7
[M-H]- 229.20338 162.7
[M+NH4]+ 248.24448 178.5
[M+K]+ 269.17382 164.3
[M+H-H2O]+ 213.20792 152.7
[M+HCOO]- 275.20886 187.0
[M+CH3COO]- 289.22451 209.7
[M+Na-2H]- 251.18533 162.8
[M]+ 230.21011 162.8
[M]- 230.21121 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