CID 6436240
Pericalline
Structural Information
- Molecular Formula
- C18H20N2
- SMILES
- C/C=C\1/CN2CC[C@H]1C(=C)C3=C(C2)C=C4C=CNC4=C3
- InChI
- InChI=1S/C18H20N2/c1-3-13-10-20-7-5-16(13)12(2)17-9-18-14(4-6-19-18)8-15(17)11-20/h3-4,6,8-9,16,19H,2,5,7,10-11H2,1H3/b13-3-/t16-/m0/s1
- InChIKey
- YBWKMVPRGFJPHD-LELDJUSMSA-N
- Compound name
- (13S,14E)-14-ethylidene-12-methylidene-1,8-diazatetracyclo[11.2.2.03,11.05,9]heptadeca-3(11),4,6,9-tetraene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.16994 | 139.3 |
[M+Na]+ | 287.15188 | 140.2 |
[M-H]- | 263.15538 | 139.1 |
[M+NH4]+ | 282.19648 | 140.0 |
[M+K]+ | 303.12582 | 140.1 |
[M+H-H2O]+ | 247.15992 | 137.9 |
[M+HCOO]- | 309.16086 | 139.2 |
[M+CH3COO]- | 323.17651 | 138.6 |
[M+Na-2H]- | 285.13733 | 137.3 |
[M]+ | 264.16211 | 139.0 |
[M]- | 264.16321 | 139.0 |