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 188.7
[M+Na]+ 391.11837 198.1
[M-H]- 367.12187 197.0
[M+NH4]+ 386.16297 205.5
[M+K]+ 407.09231 191.9
[M+H-H2O]+ 351.12641 179.3
[M+HCOO]- 413.12735 199.3
[M+CH3COO]- 427.14300 198.8
[M+Na-2H]- 389.10382 188.7
[M]+ 368.12860 189.9
[M]- 368.12970 189.9
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.