CID 33525

Letimide

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCN(CC)CCN1C(=O)C2=CC=CC=C2OC1=O
InChI
InChI=1S/C14H18N2O3/c1-3-15(4-2)9-10-16-13(17)11-7-5-6-8-12(11)19-14(16)18/h5-8H,3-4,9-10H2,1-2H3
InChIKey
GRPWANKDBCDDEV-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1152
Patents

262.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 158.2
[M+Na]+ 285.12096 167.4
[M-H]- 261.12446 163.8
[M+NH4]+ 280.16556 174.1
[M+K]+ 301.09490 166.1
[M+H-H2O]+ 245.12900 150.1
[M+HCOO]- 307.12994 181.2
[M+CH3COO]- 321.14559 203.0
[M+Na-2H]- 283.10641 165.2
[M]+ 262.13119 164.3
[M]- 262.13229 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.