CID 4140612

303060-71-1

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCCC1N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4O1
InChI
InChI=1S/C20H22N2O2/c1-3-6-20-22-18(16-7-4-5-8-19(16)24-20)13-17(21-22)14-9-11-15(23-2)12-10-14/h4-5,7-12,18,20H,3,6,13H2,1-2H3
InChIKey
XBCWJYKTCSNDMA-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-propyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.3
[M+Na]+ 345.15734 186.5
[M-H]- 321.16084 184.4
[M+NH4]+ 340.20194 192.3
[M+K]+ 361.13128 182.0
[M+H-H2O]+ 305.16538 168.6
[M+HCOO]- 367.16632 194.6
[M+CH3COO]- 381.18197 188.8
[M+Na-2H]- 343.14279 181.4
[M]+ 322.16757 180.5
[M]- 322.16867 180.5
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.