CID 668465

Methyl 4-(2,3-dihydro-1h-perimidin-2-yl)benzoate

Structural Information

Molecular Formula
C19H16N2O2
SMILES
COC(=O)C1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C19H16N2O2/c1-23-19(22)14-10-8-13(9-11-14)18-20-15-6-2-4-12-5-3-7-16(21-18)17(12)15/h2-11,18,20-21H,1H3
InChIKey
SJKNLGFGOFDDJI-UHFFFAOYSA-N
Compound name
methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

304.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 171.6
[M+Na]+ 327.11042 187.0
[M+NH4]+ 322.15502 180.0
[M+K]+ 343.08436 178.6
[M-H]- 303.11392 175.2
[M+Na-2H]- 325.09587 178.3
[M]+ 304.12065 174.8
[M]- 304.12175 174.8
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.