CID 3046497

Pyrimido(1,2-a)perimidine, 1,2,3,4,5a,6-hexahydro-4-methyl-

Structural Information

Molecular Formula
C15H15N3
SMILES
CN1CCCN2C1=NC3=CC=CC4=C3C2=CC=C4
InChI
InChI=1S/C15H15N3/c1-17-9-4-10-18-13-8-3-6-11-5-2-7-12(14(11)13)16-15(17)18/h2-3,5-8H,4,9-10H2,1H3
InChIKey
XJXBYIXAVPLGHT-UHFFFAOYSA-N
Compound name
8-methyl-10,11-dihydro-9H-pyrimido[1,2-a]perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1266 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.133876 155.1
[M+Na]+ 260.115818 163.5
[M-H]- 236.119324 155.8
[M+NH4]+ 255.160423 171.8
[M+K]+ 276.089758 157.7
[M+H-H2O]+ 220.123860 144.8
[M+HCOO]- 282.124801 168.5
[M+CH3COO]- 296.140451 165.6
[M+Na-2H]- 258.101266 164.1
[M]+ 237.12605142 153.1
[M]- 237.12714858 153.1
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.