CID 3046351

Brn 1082241

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CC(=O)OCC1CN2C3=CC=CC=C3N=C2O1
InChI
InChI=1S/C12H12N2O3/c1-8(15)16-7-9-6-14-11-5-3-2-4-10(11)13-12(14)17-9/h2-5,9H,6-7H2,1H3
InChIKey
URLCVBAULUZUPK-UHFFFAOYSA-N
Compound name
1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 148.6
[M+Na]+ 255.07402 159.1
[M-H]- 231.07752 153.0
[M+NH4]+ 250.11862 168.5
[M+K]+ 271.04796 157.7
[M+H-H2O]+ 215.08206 142.3
[M+HCOO]- 277.08300 169.7
[M+CH3COO]- 291.09865 162.4
[M+Na-2H]- 253.05947 153.8
[M]+ 232.08425 154.1
[M]- 232.08535 154.1
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.