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

literature stripe

Patent stripe

patents stripe