CID 43332412

1241340-57-7

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C3CCNCC3
InChI
InChI=1S/C15H18N2O3/c1-9-15(19)17-12-8-11(2-3-13(12)20-9)14(18)10-4-6-16-7-5-10/h2-3,8-10,16H,4-7H2,1H3,(H,17,19)
InChIKey
JIPZQLXFNYZWRY-UHFFFAOYSA-N
Compound name
2-methyl-6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 164.4
[M+Na]+ 297.12096 168.9
[M-H]- 273.12446 165.9
[M+NH4]+ 292.16556 175.5
[M+K]+ 313.09490 164.9
[M+H-H2O]+ 257.12900 155.5
[M+HCOO]- 319.12994 174.2
[M+CH3COO]- 333.14559 172.8
[M+Na-2H]- 295.10641 166.4
[M]+ 274.13119 156.8
[M]- 274.13229 156.8
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.