CID 81404

1-[4-(dimethylamino)phenyl]-3-methylurea

Structural Information

Molecular Formula
C10H15N3O
SMILES
CNC(=O)NC1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C10H15N3O/c1-11-10(14)12-8-4-6-9(7-5-8)13(2)3/h4-7H,1-3H3,(H2,11,12,14)
InChIKey
YIEYUMZIUOPBII-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

193.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.128776 143.5
[M+Na]+ 216.110718 149.1
[M-H]- 192.114224 148.7
[M+NH4]+ 211.155323 162.8
[M+K]+ 232.084658 148.7
[M+H-H2O]+ 176.118760 136.4
[M+HCOO]- 238.119701 170.7
[M+CH3COO]- 252.135351 194.4
[M+Na-2H]- 214.096166 149.2
[M]+ 193.12095142 143.0
[M]- 193.12204858 143.0
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.