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]+ 246.160096 157.8
[M+Na]+ 268.142038 167.2
[M-H]- 244.145544 159.3
[M+NH4]+ 263.186643 175.4
[M+K]+ 284.115978 163.3
[M+H-H2O]+ 228.150080 149.3
[M+HCOO]- 290.151021 174.8
[M+CH3COO]- 304.166671 169.4
[M+Na-2H]- 266.127486 162.1
[M]+ 245.15227142 159.8
[M]- 245.15336858 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.