CID 255346

2-(3,4-dichlorophenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C17H12Cl2N2
SMILES
C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2/c18-12-8-7-11(9-13(12)19)17-20-14-5-1-3-10-4-2-6-15(21-17)16(10)14/h1-9,17,20-21H
InChIKey
PNPZNBSCKVIFFJ-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

314.03775 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04503 168.4
[M+Na]+ 337.02697 178.4
[M-H]- 313.03047 169.7
[M+NH4]+ 332.07157 182.6
[M+K]+ 353.00091 168.5
[M+H-H2O]+ 297.03501 160.3
[M+HCOO]- 359.03595 173.1
[M+CH3COO]- 373.05160 177.7
[M+Na-2H]- 335.01242 174.3
[M]+ 314.03720 167.5
[M]- 314.03830 167.5
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