CID 4379857

332062-88-1

Structural Information

Molecular Formula
C19H14ClN3OS
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CS4)C5=CC=NC=C5
InChI
InChI=1S/C19H14ClN3OS/c20-13-3-4-17-14(10-13)16-11-15(18-2-1-9-25-18)22-23(16)19(24-17)12-5-7-21-8-6-12/h1-10,16,19H,11H2
InChIKey
AZJUQTDOIDJAGX-UHFFFAOYSA-N
Compound name
9-chloro-5-pyridin-4-yl-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

1
References

0
Patents

367.0546 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.06188 183.4
[M+Na]+ 390.04382 195.4
[M-H]- 366.04732 192.6
[M+NH4]+ 385.08842 197.9
[M+K]+ 406.01776 189.2
[M+H-H2O]+ 350.05186 175.5
[M+HCOO]- 412.05280 192.2
[M+CH3COO]- 426.06845 194.5
[M+Na-2H]- 388.02927 182.8
[M]+ 367.05405 188.0
[M]- 367.05515 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.