CID 3121718

2-(4-chlorophenyl)-5-isopropyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
CC(C)C1N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O1
InChI
InChI=1S/C19H19ClN2O/c1-12(2)19-22-17(15-5-3-4-6-18(15)23-19)11-16(21-22)13-7-9-14(20)10-8-13/h3-10,12,17,19H,11H2,1-2H3
InChIKey
ITNCIGYKTVOSNI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-propan-2-yl-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

326.1186 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 178.3
[M+Na]+ 349.10782 187.5
[M-H]- 325.11132 184.3
[M+NH4]+ 344.15242 193.1
[M+K]+ 365.08176 181.7
[M+H-H2O]+ 309.11586 169.3
[M+HCOO]- 371.11680 189.1
[M+CH3COO]- 385.13245 188.8
[M+Na-2H]- 347.09327 180.1
[M]+ 326.11805 180.5
[M]- 326.11915 180.5
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.