CID 5052880

303059-87-2

Structural Information

Molecular Formula
C22H19ClN2O
SMILES
CC1(N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)Cl)C
InChI
InChI=1S/C22H19ClN2O/c1-22(2)25-20(18-12-17(23)9-10-21(18)26-22)13-19(24-25)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,20H,13H2,1-2H3
InChIKey
GHVWGKZMVAUNOG-UHFFFAOYSA-N
Compound name
9-chloro-5,5-dimethyl-2-naphthalen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1186 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12588 188.1
[M+Na]+ 385.10782 199.6
[M-H]- 361.11132 195.4
[M+NH4]+ 380.15242 204.4
[M+K]+ 401.08176 192.2
[M+H-H2O]+ 345.11586 177.6
[M+HCOO]- 407.11680 198.4
[M+CH3COO]- 421.13245 198.5
[M+Na-2H]- 383.09327 191.8
[M]+ 362.11805 191.0
[M]- 362.11915 191.0
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.