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 207.3
[M+Na]+ 460.09539 217.0
[M-H]- 436.09889 216.8
[M+NH4]+ 455.13999 218.0
[M+K]+ 476.06933 209.9
[M+H-H2O]+ 420.10343 196.2
[M+HCOO]- 482.10437 214.7
[M+CH3COO]- 496.12002 216.1
[M+Na-2H]- 458.08084 207.0
[M]+ 437.10562 212.0
[M]- 437.10672 212.0
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.