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 198.6
[M+Na]+ 410.19695 211.0
[M+NH4]+ 405.24155 206.1
[M+K]+ 426.17089 202.5
[M-H]- 386.20045 205.0
[M+Na-2H]- 408.18240 205.8
[M]+ 387.20718 202.5
[M]- 387.20828 202.5
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

No patent data available for this compound.