CID 10202072
Pbox-15
Structural Information
- Molecular Formula
- C28H19NO3
- SMILES
- CC(=O)OC1=C(OC2=CC3=CC=CC=C3C=C2N4C1=CC=C4)C5=CC=CC6=CC=CC=C65
- InChI
- InChI=1S/C28H19NO3/c1-18(30)31-28-24-14-7-15-29(24)25-16-20-9-2-3-10-21(20)17-26(25)32-27(28)23-13-6-11-19-8-4-5-12-22(19)23/h2-17H,1H3
- InChIKey
- STVDRIIZTGYIMM-UHFFFAOYSA-N
- Compound name
- (8-naphthalen-1-yl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl) acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 418.14378 | 203.5 |
[M+Na]+ | 440.12572 | 213.8 |
[M-H]- | 416.12922 | 215.3 |
[M+NH4]+ | 435.17032 | 216.2 |
[M+K]+ | 456.09966 | 211.1 |
[M+H-H2O]+ | 400.13376 | 196.3 |
[M+HCOO]- | 462.13470 | 220.8 |
[M+CH3COO]- | 476.15035 | 213.6 |
[M+Na-2H]- | 438.11117 | 208.0 |
[M]+ | 417.13595 | 206.5 |
[M]- | 417.13705 | 206.5 |