CID 4547181

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

Structural Information

Molecular Formula
C20H14ClN3O4
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CO4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C20H14ClN3O4/c21-13-5-8-18-15(10-13)17-11-16(19-2-1-9-27-19)22-23(17)20(28-18)12-3-6-14(7-4-12)24(25)26/h1-10,17,20H,11H2
InChIKey
QUDKPBNUTFCSPQ-UHFFFAOYSA-N
Compound name
9-chloro-2-(furan-2-yl)-5-(4-nitrophenyl)-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

395.0673 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07458 191.9
[M+Na]+ 418.05652 199.4
[M-H]- 394.06002 202.3
[M+NH4]+ 413.10112 202.4
[M+K]+ 434.03046 191.6
[M+H-H2O]+ 378.06456 187.5
[M+HCOO]- 440.06550 205.1
[M+CH3COO]- 454.08115 213.4
[M+Na-2H]- 416.04197 195.3
[M]+ 395.06675 194.2
[M]- 395.06785 194.2
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.