CID 4149008

303061-44-1

Structural Information

Molecular Formula
C19H18Cl2N2O2
SMILES
CC1(N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C(=CC(=C4)Cl)Cl)C
InChI
InChI=1S/C19H18Cl2N2O2/c1-19(2)23-17(14-8-12(20)9-15(21)18(14)25-19)10-16(22-23)11-4-6-13(24-3)7-5-11/h4-9,17H,10H2,1-3H3
InChIKey
YBTZOYWFTIGTRH-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.07452 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08180 186.9
[M+Na]+ 399.06374 199.4
[M-H]- 375.06724 193.1
[M+NH4]+ 394.10834 202.7
[M+K]+ 415.03768 193.1
[M+H-H2O]+ 359.07178 178.5
[M+HCOO]- 421.07272 193.8
[M+CH3COO]- 435.08837 197.7
[M+Na-2H]- 397.04919 188.8
[M]+ 376.07397 193.3
[M]- 376.07507 193.3
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.