CID 4055024

303060-67-5

Structural Information

Molecular Formula
C23H20Cl2N2O
SMILES
CC(C)C1N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H20Cl2N2O/c1-13(2)23-27-21(18-10-17(24)11-19(25)22(18)28-23)12-20(26-27)16-8-7-14-5-3-4-6-15(14)9-16/h3-11,13,21,23H,12H2,1-2H3
InChIKey
ZAIFMZZEMNREOG-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-naphthalen-2-yl-5-propan-2-yl-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

410.09528 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10256 197.1
[M+Na]+ 433.08450 215.9
[M+NH4]+ 428.12910 207.4
[M+K]+ 449.05844 206.5
[M-H]- 409.08800 204.3
[M+Na-2H]- 431.06995 202.8
[M]+ 410.09473 202.8
[M]- 410.09583 202.8
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.