CID 3061649

1-allyl-8-methoxy-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate

Structural Information

Molecular Formula
C14H17N3O
SMILES
COC1=CC2=C(C=C1)N3CCCN(C3=N2)CC=C
InChI
InChI=1S/C14H17N3O/c1-3-7-16-8-4-9-17-13-6-5-11(18-2)10-12(13)15-14(16)17/h3,5-6,10H,1,4,7-9H2,2H3
InChIKey
OAHRFLWNBYODAR-UHFFFAOYSA-N
Compound name
8-methoxy-1-prop-2-enyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.13716 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.144436 156.5
[M+Na]+ 266.126378 166.5
[M-H]- 242.129884 157.9
[M+NH4]+ 261.170983 174.2
[M+K]+ 282.100318 161.5
[M+H-H2O]+ 226.134420 147.8
[M+HCOO]- 288.135361 174.7
[M+CH3COO]- 302.151011 168.3
[M+Na-2H]- 264.111826 161.9
[M]+ 243.13661142 158.4
[M]- 243.13770858 158.4
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.