CID 3121951

5-(3-chlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C20H15ClN2OS
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C20H15ClN2OS/c21-14-6-3-5-13(11-14)20-23-17(15-7-1-2-8-18(15)24-20)12-16(22-23)19-9-4-10-25-19/h1-11,17,20H,12H2
InChIKey
BYKUNAMVQPMIQN-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-2-thiophen-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

366.05936 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06664 184.4
[M+Na]+ 389.04858 196.0
[M-H]- 365.05208 194.9
[M+NH4]+ 384.09318 200.3
[M+K]+ 405.02252 189.7
[M+H-H2O]+ 349.05662 177.3
[M+HCOO]- 411.05756 194.2
[M+CH3COO]- 425.07321 195.8
[M+Na-2H]- 387.03403 183.6
[M]+ 366.05881 189.0
[M]- 366.05991 189.0
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.