CID 5052885

303059-94-1

Structural Information

Molecular Formula
C27H19ClN2O2
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C27H19ClN2O2/c28-21-13-11-18(12-14-21)26(31)27-30-24(22-7-3-4-8-25(22)32-27)16-23(29-30)20-10-9-17-5-1-2-6-19(17)15-20/h1-15,24,27H,16H2
InChIKey
RPOQKDRVSTUDGM-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1135 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.12078 206.0
[M+Na]+ 461.10272 214.7
[M-H]- 437.10622 215.5
[M+NH4]+ 456.14732 215.8
[M+K]+ 477.07666 206.9
[M+H-H2O]+ 421.11076 194.0
[M+HCOO]- 483.11170 214.8
[M+CH3COO]- 497.12735 214.2
[M+Na-2H]- 459.08817 207.2
[M]+ 438.11295 207.7
[M]- 438.11405 207.7
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.