CID 3060870

(2,3-dihydrooxazolo(3,2-a)benzimidazol-2-yl)methyl butanoate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCCC(=O)OCC1CN2C3=CC=CC=C3N=C2O1
InChI
InChI=1S/C14H16N2O3/c1-2-5-13(17)18-9-10-8-16-12-7-4-3-6-11(12)15-14(16)19-10/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKey
JEEFGKGADANBOY-UHFFFAOYSA-N
Compound name
1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.2
[M+Na]+ 283.105318 167.7
[M-H]- 259.108824 162.1
[M+NH4]+ 278.149923 176.9
[M+K]+ 299.079258 165.9
[M+H-H2O]+ 243.113360 151.4
[M+HCOO]- 305.114301 178.6
[M+CH3COO]- 319.129951 171.0
[M+Na-2H]- 281.090766 162.2
[M]+ 260.11555142 164.3
[M]- 260.11664858 164.3
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.