CID 3121819

9-chloro-2,5-bis(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C24H21ClN2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)C)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C24H21ClN2O/c1-15-3-7-17(8-4-15)21-14-22-20-13-19(25)11-12-23(20)28-24(27(22)26-21)18-9-5-16(2)6-10-18/h3-13,22,24H,14H2,1-2H3
InChIKey
PYSRIEIFSXOLOL-UHFFFAOYSA-N
Compound name
9-chloro-2,5-bis(4-methylphenyl)-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

388.13425 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14153 197.4
[M+Na]+ 411.12347 207.7
[M-H]- 387.12697 206.7
[M+NH4]+ 406.16807 209.4
[M+K]+ 427.09741 200.0
[M+H-H2O]+ 371.13151 186.5
[M+HCOO]- 433.13245 208.5
[M+CH3COO]- 447.14810 207.1
[M+Na-2H]- 409.10892 197.8
[M]+ 388.13370 199.9
[M]- 388.13480 199.9
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.