CID 3317861

303060-23-3

Structural Information

Molecular Formula
C27H21ClN2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Cl
InChI
InChI=1S/C27H21ClN2O/c1-17-6-8-19(9-7-17)27-30-25(23-15-22(28)12-13-26(23)31-27)16-24(29-30)21-11-10-18-4-2-3-5-20(18)14-21/h2-15,25,27H,16H2,1H3
InChIKey
CZQZDTLCAQYKNX-UHFFFAOYSA-N
Compound name
9-chloro-5-(4-methylphenyl)-2-naphthalen-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

424.13425 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14153 205.3
[M+Na]+ 447.12347 226.0
[M+NH4]+ 442.16807 216.1
[M+K]+ 463.09741 215.2
[M-H]- 423.12697 215.5
[M+Na-2H]- 445.10892 214.1
[M]+ 424.13370 212.0
[M]- 424.13480 212.0
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.