CID 15751827

17607-23-7

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC1=C(C=CC=C1NC(=O)N(C)C)NC(=O)N(C)C
InChI
InChI=1S/C13H20N4O2/c1-9-10(14-12(18)16(2)3)7-6-8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
InChIKey
NEVYNAFJLYYHPR-UHFFFAOYSA-N
Compound name
3-[3-(dimethylcarbamoylamino)-2-methylphenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

264.15863 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.165906 164.1
[M+Na]+ 287.147848 168.7
[M-H]- 263.151354 170.7
[M+NH4]+ 282.192453 181.0
[M+K]+ 303.121788 169.8
[M+H-H2O]+ 247.155890 156.0
[M+HCOO]- 309.156831 191.2
[M+CH3COO]- 323.172481 214.3
[M+Na-2H]- 285.133296 165.8
[M]+ 264.15808142 165.5
[M]- 264.15917858 165.5
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