CID 11774625

260054-47-5

Structural Information

Molecular Formula
C22H27Cl3N2
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C2C(Cl)(Cl)Cl)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C22H27Cl3N2/c1-13-9-15(3)19(16(4)10-13)26-7-8-27(21(26)22(23,24)25)20-17(5)11-14(2)12-18(20)6/h9-12,21H,7-8H2,1-6H3
InChIKey
BQPZMDZPDASSPW-UHFFFAOYSA-N
Compound name
2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

424.124 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.13128 204.3
[M+Na]+ 447.11322 215.0
[M-H]- 423.11672 209.7
[M+NH4]+ 442.15782 216.2
[M+K]+ 463.08716 206.3
[M+H-H2O]+ 407.12126 195.8
[M+HCOO]- 469.12220 205.3
[M+CH3COO]- 483.13785 228.3
[M+Na-2H]- 445.09867 198.2
[M]+ 424.12345 208.2
[M]- 424.12455 208.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe