CID 3121879

303061-30-5

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC35CCCC5
InChI
InChI=1S/C21H21ClN2O2/c1-25-16-7-4-14(5-8-16)18-13-19-17-12-15(22)6-9-20(17)26-21(24(19)23-18)10-2-3-11-21/h4-9,12,19H,2-3,10-11,13H2,1H3
InChIKey
UUUKYIJBFLBCNO-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12915 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 185.5
[M+Na]+ 391.11837 200.7
[M+NH4]+ 386.16297 196.8
[M+K]+ 407.09231 193.4
[M-H]- 367.12187 192.3
[M+Na-2H]- 389.10382 192.2
[M]+ 368.12860 190.2
[M]- 368.12970 190.2
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.