CID 3061663

Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-8-isopropoxy-1-methyl-, methanesulfonate

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC(C)OC1=CC2=C(C=C1)N3CCCN(C3=N2)C
InChI
InChI=1S/C14H19N3O/c1-10(2)18-11-5-6-13-12(9-11)15-14-16(3)7-4-8-17(13)14/h5-6,9-10H,4,7-8H2,1-3H3
InChIKey
ULRLEXQNKFPMCD-UHFFFAOYSA-N
Compound name
1-methyl-8-propan-2-yloxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 157.8
[M+Na]+ 268.14204 167.2
[M-H]- 244.14554 159.3
[M+NH4]+ 263.18664 175.4
[M+K]+ 284.11598 163.3
[M+H-H2O]+ 228.15008 149.3
[M+HCOO]- 290.15102 174.8
[M+CH3COO]- 304.16667 169.4
[M+Na-2H]- 266.12749 162.1
[M]+ 245.15227 159.8
[M]- 245.15337 159.8
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.