CID 56843237

88799-50-2

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1C(=O)C(C2=COC=CN2N1)CCC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O2/c1-12-16(19)14(8-7-13-5-3-2-4-6-13)15-11-20-10-9-18(15)17-12/h2-6,9-12,14,17H,7-8H2,1H3
InChIKey
UXGYUCGNNUMBEW-UHFFFAOYSA-N
Compound name
2-methyl-4-(2-phenylethyl)-2,4-dihydro-1H-pyridazino[6,1-c][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 164.1
[M+Na]+ 293.12606 170.8
[M-H]- 269.12956 167.5
[M+NH4]+ 288.17066 176.5
[M+K]+ 309.10000 166.5
[M+H-H2O]+ 253.13410 154.6
[M+HCOO]- 315.13504 178.6
[M+CH3COO]- 329.15069 174.1
[M+Na-2H]- 291.11151 169.0
[M]+ 270.13629 161.3
[M]- 270.13739 161.3
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.