CID 4055024

303060-67-5

Structural Information

Molecular Formula
C23H20Cl2N2O
SMILES
CC(C)C1N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H20Cl2N2O/c1-13(2)23-27-21(18-10-17(24)11-19(25)22(18)28-23)12-20(26-27)16-8-7-14-5-3-4-6-15(14)9-16/h3-11,13,21,23H,12H2,1-2H3
InChIKey
ZAIFMZZEMNREOG-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-naphthalen-2-yl-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

410.09528 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.102556 199.4
[M+Na]+ 433.084498 209.9
[M-H]- 409.088004 205.5
[M+NH4]+ 428.129103 212.2
[M+K]+ 449.058438 202.2
[M+H-H2O]+ 393.092540 189.7
[M+HCOO]- 455.093481 203.1
[M+CH3COO]- 469.109131 208.2
[M+Na-2H]- 431.069946 199.1
[M]+ 410.09473142 203.6
[M]- 410.09582858 203.6
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.