CID 3400827

303094-70-4

Structural Information

Molecular Formula
C23H25Br2N3O
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C23H25Br2N3O/c1-2-11-27-12-9-23(10-13-27)28-21(19-14-18(25)7-8-22(19)29-23)15-20(26-28)16-3-5-17(24)6-4-16/h3-8,14,21H,2,9-13,15H2,1H3
InChIKey
WTSCZGUKFYBRBM-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-bromophenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

517.03644 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.04372 198.7
[M+Na]+ 540.02566 206.9
[M-H]- 516.02916 207.2
[M+NH4]+ 535.07026 211.2
[M+K]+ 555.99960 193.3
[M+H-H2O]+ 500.03370 205.1
[M+HCOO]- 562.03464 204.9
[M+CH3COO]- 576.05029 207.8
[M+Na-2H]- 538.01111 200.4
[M]+ 517.03589 230.4
[M]- 517.03699 230.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.