CID 3024008

1,3-bis[2-(dimethylamino)phenyl]urea

Structural Information

Molecular Formula
C17H22N4O
SMILES
CN(C)C1=CC=CC=C1NC(=O)NC2=CC=CC=C2N(C)C
InChI
InChI=1S/C17H22N4O/c1-20(2)15-11-7-5-9-13(15)18-17(22)19-14-10-6-8-12-16(14)21(3)4/h5-12H,1-4H3,(H2,18,19,22)
InChIKey
ABIBJGOSWOUGGV-UHFFFAOYSA-N
Compound name
1,3-bis[2-(dimethylamino)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17935 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.186626 172.5
[M+Na]+ 321.168568 176.5
[M-H]- 297.172074 181.8
[M+NH4]+ 316.213173 187.6
[M+K]+ 337.142508 175.5
[M+H-H2O]+ 281.176610 163.0
[M+HCOO]- 343.177551 200.3
[M+CH3COO]- 357.193201 221.0
[M+Na-2H]- 319.154016 176.3
[M]+ 298.17880142 173.0
[M]- 298.17989858 173.0
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

No patent data available for this compound.