CID 5052882

303059-89-4

Structural Information

Molecular Formula
C22H18Cl2N2O
SMILES
CC1(N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C(=CC(=C5)Cl)Cl)C
InChI
InChI=1S/C22H18Cl2N2O/c1-22(2)26-20(17-10-16(23)11-18(24)21(17)27-22)12-19(25-26)15-8-7-13-5-3-4-6-14(13)9-15/h3-11,20H,12H2,1-2H3
InChIKey
BOTHHUPGIADVCE-UHFFFAOYSA-N
Compound name
7,9-dichloro-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

396.07962 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.08690 194.7
[M+Na]+ 419.06884 207.3
[M-H]- 395.07234 201.3
[M+NH4]+ 414.11344 210.2
[M+K]+ 435.04278 199.3
[M+H-H2O]+ 379.07688 184.6
[M+HCOO]- 441.07782 199.9
[M+CH3COO]- 455.09347 204.6
[M+Na-2H]- 417.05429 196.8
[M]+ 396.07907 199.3
[M]- 396.08017 199.3
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.