CID 3333130

303060-54-0

Structural Information

Molecular Formula
C22H20N2O
SMILES
CC1(N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5O1)C
InChI
InChI=1S/C22H20N2O/c1-22(2)24-20(18-9-5-6-10-21(18)25-22)14-19(23-24)17-12-11-15-7-3-4-8-16(15)13-17/h3-13,20H,14H2,1-2H3
InChIKey
CQZCJPSQSMQXFL-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-naphthalen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15756 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16484 180.1
[M+Na]+ 351.14678 197.6
[M+NH4]+ 346.19138 192.0
[M+K]+ 367.12072 187.4
[M-H]- 327.15028 187.6
[M+Na-2H]- 349.13223 188.4
[M]+ 328.15701 185.3
[M]- 328.15811 185.3
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.