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]+ 411.10256 199.4
[M+Na]+ 433.08450 209.9
[M-H]- 409.08800 205.5
[M+NH4]+ 428.12910 212.2
[M+K]+ 449.05844 202.2
[M+H-H2O]+ 393.09254 189.7
[M+HCOO]- 455.09348 203.1
[M+CH3COO]- 469.10913 208.2
[M+Na-2H]- 431.06995 199.1
[M]+ 410.09473 203.6
[M]- 410.09583 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.