CID 3060913

C 3184

Structural Information

Molecular Formula
C22H30ClN3O
SMILES
CCN(CC)CCN(C1=C(C=CC=C1C)C)C(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C22H30ClN3O/c1-6-25(7-2)14-15-26(21-17(4)11-8-12-18(21)5)22(27)24-20-16(3)10-9-13-19(20)23/h8-13H,6-7,14-15H2,1-5H3,(H,24,27)
InChIKey
YKLQLBWNOWMKLV-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-methylphenyl)-1-[2-(diethylamino)ethyl]-1-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.20773 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21501 199.7
[M+Na]+ 410.19695 205.0
[M-H]- 386.20045 208.6
[M+NH4]+ 405.24155 213.0
[M+K]+ 426.17089 200.9
[M+H-H2O]+ 370.20499 190.8
[M+HCOO]- 432.20593 220.2
[M+CH3COO]- 446.22158 236.5
[M+Na-2H]- 408.18240 198.2
[M]+ 387.20718 205.9
[M]- 387.20828 205.9
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