CID 6482346

Chembl269922

Structural Information

Molecular Formula
C21H28N4
SMILES
CC1=CC=C(C=C1)N2CCN(C2)CN3CCN(C3)C4=CC=C(C=C4)C
InChI
InChI=1S/C21H28N4/c1-18-3-7-20(8-4-18)24-13-11-22(16-24)15-23-12-14-25(17-23)21-9-5-19(2)6-10-21/h3-10H,11-17H2,1-2H3
InChIKey
RGAYGGFZSMQDEY-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.23138 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23866 184.4
[M+Na]+ 359.22060 189.9
[M-H]- 335.22410 191.4
[M+NH4]+ 354.26520 195.6
[M+K]+ 375.19454 183.6
[M+H-H2O]+ 319.22864 172.3
[M+HCOO]- 381.22958 199.5
[M+CH3COO]- 395.24523 193.1
[M+Na-2H]- 357.20605 180.0
[M]+ 336.23083 180.2
[M]- 336.23193 180.2
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

No patent data available for this compound.