CID 255085

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

Structural Information

Molecular Formula
C17H13ClN2
SMILES
C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H13ClN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10,17,19-20H
InChIKey
KYZVDBPJDCCYMN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

280.07672 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08400 162.6
[M+Na]+ 303.06594 171.4
[M-H]- 279.06944 164.4
[M+NH4]+ 298.11054 177.4
[M+K]+ 319.03988 162.2
[M+H-H2O]+ 263.07398 153.9
[M+HCOO]- 325.07492 172.3
[M+CH3COO]- 339.09057 172.4
[M+Na-2H]- 301.05139 170.1
[M]+ 280.07617 159.9
[M]- 280.07727 159.9
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