CID 3060918

C 3246

Structural Information

Molecular Formula
C15H24ClN3O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN(C)C)C(C)C
InChI
InChI=1S/C15H24ClN3O/c1-11(2)19(10-9-18(4)5)15(20)17-14-12(3)7-6-8-13(14)16/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKey
QLEXGSDSUZGCQQ-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-methylphenyl)-1-[2-(dimethylamino)ethyl]-1-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1608 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16808 172.5
[M+Na]+ 320.15002 182.2
[M+NH4]+ 315.19462 179.8
[M+K]+ 336.12396 176.4
[M-H]- 296.15352 175.9
[M+Na-2H]- 318.13547 177.4
[M]+ 297.16025 174.9
[M]- 297.16135 174.9
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.