CID 3047474

Perimidine, 2-(p-chlorophenyl)-1-methyl-

Structural Information

Molecular Formula
C18H13ClN2
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H13ClN2/c1-21-16-7-3-5-12-4-2-6-15(17(12)16)20-18(21)13-8-10-14(19)11-9-13/h2-11H,1H3
InChIKey
QSZLTDBMTZWHJG-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-methylperimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07672 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08400 167.5
[M+Na]+ 315.06594 178.5
[M-H]- 291.06944 172.4
[M+NH4]+ 310.11054 183.5
[M+K]+ 331.03988 170.5
[M+H-H2O]+ 275.07398 157.8
[M+HCOO]- 337.07492 181.1
[M+CH3COO]- 351.09057 178.9
[M+Na-2H]- 313.05139 175.2
[M]+ 292.07617 170.3
[M]- 292.07727 170.3
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.