CID 31092

22244-18-4

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCCNC(=O)C1CNC2=CC=CC=C2O1
InChI
InChI=1S/C12H16N2O2/c1-2-7-13-12(15)11-8-14-9-5-3-4-6-10(9)16-11/h3-6,11,14H,2,7-8H2,1H3,(H,13,15)
InChIKey
MNXXJUKTNKKCCX-UHFFFAOYSA-N
Compound name
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1
Patents

220.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.5
[M+Na]+ 243.11041 154.8
[M-H]- 219.11391 151.2
[M+NH4]+ 238.15501 165.1
[M+K]+ 259.08435 152.5
[M+H-H2O]+ 203.11845 142.2
[M+HCOO]- 265.11939 167.0
[M+CH3COO]- 279.13504 188.1
[M+Na-2H]- 241.09586 156.2
[M]+ 220.12064 146.8
[M]- 220.12174 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe