CID 3121955

5-(2,4-dichlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C20H14Cl2N2OS
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C20H14Cl2N2OS/c21-12-7-8-13(15(22)10-12)20-24-17(14-4-1-2-5-18(14)25-20)11-16(23-24)19-6-3-9-26-19/h1-10,17,20H,11H2
InChIKey
QHOGPGRCYZYVKW-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-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

400.0204 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.02768 192.9
[M+Na]+ 423.00962 205.3
[M-H]- 399.01312 202.7
[M+NH4]+ 418.05422 208.0
[M+K]+ 438.98356 198.5
[M+H-H2O]+ 383.01766 186.0
[M+HCOO]- 445.01860 197.4
[M+CH3COO]- 459.03425 203.5
[M+Na-2H]- 420.99507 190.4
[M]+ 400.01985 199.0
[M]- 400.02095 199.0
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.