CID 760602

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

Structural Information

Molecular Formula
C17H13ClN2
SMILES
C1=CC=C(C(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)Cl
InChI
InChI=1S/C17H13ClN2/c18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(20-17)16(11)14/h1-10,17,19-20H
InChIKey
VFCSCFYJARCXSF-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.