CID 4400458

303061-45-2

Structural Information

Molecular Formula
C20H20Cl2N2O2
SMILES
CC(C)C1N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C(=CC(=C4)Cl)Cl
InChI
InChI=1S/C20H20Cl2N2O2/c1-11(2)20-24-18(15-8-13(21)9-16(22)19(15)26-20)10-17(23-24)12-4-6-14(25-3)7-5-12/h4-9,11,18,20H,10H2,1-3H3
InChIKey
UFJAMOGBSPXGRZ-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-methoxyphenyl)-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

390.09018 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09746 192.8
[M+Na]+ 413.07940 203.3
[M-H]- 389.08290 198.5
[M+NH4]+ 408.12400 205.8
[M+K]+ 429.05334 197.3
[M+H-H2O]+ 373.08744 184.3
[M+HCOO]- 435.08838 198.2
[M+CH3COO]- 449.10403 202.4
[M+Na-2H]- 411.06485 191.9
[M]+ 390.08963 198.7
[M]- 390.09073 198.7
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.