CID 4558196

303104-50-9

Structural Information

Molecular Formula
C24H21Cl2N3O
SMILES
CN(C)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C24H21Cl2N3O/c1-28(2)18-10-8-16(9-11-18)24-29-22(14-21(27-29)15-6-4-3-5-7-15)19-12-17(25)13-20(26)23(19)30-24/h3-13,22,24H,14H2,1-2H3
InChIKey
DDFODXNBWVAKQG-UHFFFAOYSA-N
Compound name
4-(7,9-dichloro-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.10617 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11345 204.8
[M+Na]+ 460.09539 223.6
[M+NH4]+ 455.13999 214.6
[M+K]+ 476.06933 214.1
[M-H]- 436.09889 214.2
[M+Na-2H]- 458.08084 213.1
[M]+ 437.10562 211.1
[M]- 437.10672 211.1
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.