CID 4517357

303104-38-3

Structural Information

Molecular Formula
C30H21Cl2N3O2
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C3N4C(CC(=N4)C5=CC6=CC=CC=C6C=C5)C7=C(O3)C(=CC(=C7)Cl)Cl
InChI
InChI=1S/C30H21Cl2N3O2/c1-17(36)34-16-24(22-8-4-5-9-27(22)34)30-35-28(23-13-21(31)14-25(32)29(23)37-30)15-26(33-35)20-11-10-18-6-2-3-7-19(18)12-20/h2-14,16,28,30H,15H2,1H3
InChIKey
ZGESPRDTYCSNQP-UHFFFAOYSA-N
Compound name
1-[3-(7,9-dichloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.1011 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.10838 228.0
[M+Na]+ 548.09032 239.7
[M-H]- 524.09382 237.7
[M+NH4]+ 543.13492 236.9
[M+K]+ 564.06426 231.1
[M+H-H2O]+ 508.09836 216.1
[M+HCOO]- 570.09930 231.1
[M+CH3COO]- 584.11495 235.3
[M+Na-2H]- 546.07577 224.1
[M]+ 525.10055 234.7
[M]- 525.10165 234.7
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.