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 201.6
[M+Na]+ 430.14232 207.8
[M-H]- 406.14582 209.8
[M+NH4]+ 425.18692 214.6
[M+K]+ 446.11626 202.6
[M+H-H2O]+ 390.15036 193.8
[M+HCOO]- 452.15130 217.4
[M+CH3COO]- 466.16695 237.2
[M+Na-2H]- 428.12777 199.9
[M]+ 407.15255 208.9
[M]- 407.15365 208.9
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.