CID 3060893

78371-84-3

Structural Information

Molecular Formula
C21H27Cl2N3O
SMILES
CCN(CC)CCN(C1=C(C=CC=C1Cl)C)C(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C21H27Cl2N3O/c1-5-25(6-2)13-14-26(20-16(4)10-8-12-18(20)23)21(27)24-19-15(3)9-7-11-17(19)22/h7-12H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKey
FRFJAKNFKQANCO-UHFFFAOYSA-N
Compound name
1,3-bis(2-chloro-6-methylphenyl)-1-[2-(diethylamino)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1531 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.16038 200.3
[M+Na]+ 430.14232 213.3
[M+NH4]+ 425.18692 207.9
[M+K]+ 446.11626 204.3
[M-H]- 406.14582 206.3
[M+Na-2H]- 428.12777 207.4
[M]+ 407.15255 204.5
[M]- 407.15365 204.5
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.