CID 3157032

375829-37-1

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=CC=C5O2
InChI
InChI=1S/C22H25N3O2/c1-24-13-11-22(12-14-24)25-20(18-5-3-4-6-21(18)27-22)15-19(23-25)16-7-9-17(26-2)10-8-16/h3-10,20H,11-15H2,1-2H3
InChIKey
LNHDAMUXKOTLNI-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 190.0
[M+Na]+ 386.18389 197.2
[M-H]- 362.18739 196.3
[M+NH4]+ 381.22849 202.6
[M+K]+ 402.15783 192.0
[M+H-H2O]+ 346.19193 177.7
[M+HCOO]- 408.19287 201.1
[M+CH3COO]- 422.20852 198.5
[M+Na-2H]- 384.16934 192.0
[M]+ 363.19412 187.3
[M]- 363.19522 187.3
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.