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 174.2
[M+Na]+ 320.15002 179.4
[M-H]- 296.15352 180.3
[M+NH4]+ 315.19462 191.2
[M+K]+ 336.12396 177.7
[M+H-H2O]+ 280.15806 167.4
[M+HCOO]- 342.15900 194.8
[M+CH3COO]- 356.17465 218.7
[M+Na-2H]- 318.13547 174.0
[M]+ 297.16025 178.9
[M]- 297.16135 178.9
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

patents stripe