CID 514430

Schembl6159201

Structural Information

Molecular Formula
C20H22Cl2N4O2
SMILES
CC(C)N1C(=C(N(C1=O)C)CNCC2=CC=NC=C2)OC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H22Cl2N4O2/c1-13(2)26-19(28-17-9-15(21)8-16(22)10-17)18(25(3)20(26)27)12-24-11-14-4-6-23-7-5-14/h4-10,13,24H,11-12H2,1-3H3
InChIKey
NHUKXJXXGKZPCR-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenoxy)-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.11197 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11925 198.2
[M+Na]+ 443.10119 208.4
[M-H]- 419.10469 204.1
[M+NH4]+ 438.14579 207.6
[M+K]+ 459.07513 200.8
[M+H-H2O]+ 403.10923 187.8
[M+HCOO]- 465.11017 209.1
[M+CH3COO]- 479.12582 227.3
[M+Na-2H]- 441.08664 196.4
[M]+ 420.11142 205.4
[M]- 420.11252 205.4
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