CID 5142240
303104-42-9
Structural Information
- Molecular Formula
- C27H28BrN3O
- SMILES
- CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br
- InChI
- InChI=1S/C27H28BrN3O/c1-2-13-30-14-11-27(12-15-30)31-25(23-17-22(28)9-10-26(23)32-27)18-24(29-31)21-8-7-19-5-3-4-6-20(19)16-21/h3-10,16-17,25H,2,11-15,18H2,1H3
- InChIKey
- KAPAJCOACWMDNF-UHFFFAOYSA-N
- Compound name
- 9-bromo-2-naphthalen-2-yl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 490.14885 | 218.8 |
[M+Na]+ | 512.13079 | 227.6 |
[M-H]- | 488.13429 | 227.5 |
[M+NH4]+ | 507.17539 | 231.0 |
[M+K]+ | 528.10473 | 215.0 |
[M+H-H2O]+ | 472.13883 | 213.2 |
[M+HCOO]- | 534.13977 | 225.7 |
[M+CH3COO]- | 548.15542 | 226.7 |
[M+Na-2H]- | 510.11624 | 219.6 |
[M]+ | 489.14102 | 233.6 |
[M]- | 489.14212 | 233.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.