CID 3317863

303060-25-5

Structural Information

Molecular Formula
C26H17Cl3N2O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=C(C=C(C=C6)Cl)Cl
InChI
InChI=1S/C26H17Cl3N2O/c27-18-8-10-25-21(12-18)24-14-23(17-6-5-15-3-1-2-4-16(15)11-17)30-31(24)26(32-25)20-9-7-19(28)13-22(20)29/h1-13,24,26H,14H2
InChIKey
AFOVRNHWUQIOMV-UHFFFAOYSA-N
Compound name
9-chloro-5-(2,4-dichlorophenyl)-2-naphthalen-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

478.04065 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.04793 213.7
[M+Na]+ 501.02987 225.1
[M-H]- 477.03337 221.2
[M+NH4]+ 496.07447 223.4
[M+K]+ 517.00381 216.5
[M+H-H2O]+ 461.03791 202.0
[M+HCOO]- 523.03885 213.2
[M+CH3COO]- 537.05450 221.1
[M+Na-2H]- 499.01532 212.7
[M]+ 478.04010 218.0
[M]- 478.04120 218.0
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.