CID 3121887

303061-31-6

Structural Information

Molecular Formula
C23H25ClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5CCCCC5
InChI
InChI=1S/C23H25ClN2O2/c1-27-18-10-7-15(8-11-18)20-14-21-19-13-17(24)9-12-22(19)28-23(26(21)25-20)16-5-3-2-4-6-16/h7-13,16,21,23H,2-6,14H2,1H3
InChIKey
OCQDWNCHIIVUKH-UHFFFAOYSA-N
Compound name
9-chloro-5-cyclohexyl-2-(4-methoxyphenyl)-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

396.16046 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16774 197.3
[M+Na]+ 419.14968 203.8
[M-H]- 395.15318 205.2
[M+NH4]+ 414.19428 208.4
[M+K]+ 435.12362 197.5
[M+H-H2O]+ 379.15772 186.2
[M+HCOO]- 441.15866 204.7
[M+CH3COO]- 455.17431 205.4
[M+Na-2H]- 417.13513 196.2
[M]+ 396.15991 196.1
[M]- 396.16101 196.1
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.