CID 727034

2-p-tolyl-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C18H16N2
SMILES
CC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H16N2/c1-12-8-10-14(11-9-12)18-19-15-6-2-4-13-5-3-7-16(20-18)17(13)15/h2-11,18-20H,1H3
InChIKey
HZAWSECNAURSLI-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

260.13135 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 161.3
[M+Na]+ 283.12057 168.9
[M-H]- 259.12407 163.3
[M+NH4]+ 278.16517 176.1
[M+K]+ 299.09451 160.8
[M+H-H2O]+ 243.12861 152.0
[M+HCOO]- 305.12955 175.3
[M+CH3COO]- 319.14520 171.1
[M+Na-2H]- 281.10602 168.8
[M]+ 260.13080 156.7
[M]- 260.13190 156.7
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.