CID 3121807

332061-13-9

Structural Information

Molecular Formula
C21H21ClN2O
SMILES
CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC35CCCC5
InChI
InChI=1S/C21H21ClN2O/c1-14-4-6-15(7-5-14)18-13-19-17-12-16(22)8-9-20(17)25-21(24(19)23-18)10-2-3-11-21/h4-9,12,19H,2-3,10-11,13H2,1H3
InChIKey
XTAFYBZMBMMAKI-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-methylphenyl)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

352.13425 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14153 186.3
[M+Na]+ 375.12347 195.9
[M-H]- 351.12697 194.6
[M+NH4]+ 370.16807 203.8
[M+K]+ 391.09741 189.0
[M+H-H2O]+ 335.13151 176.9
[M+HCOO]- 397.13245 196.7
[M+CH3COO]- 411.14810 196.5
[M+Na-2H]- 373.10892 186.0
[M]+ 352.13370 186.1
[M]- 352.13480 186.1
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.