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

compound 2d structure
2
Annotation Hits

11
References

4
Patents

264.16266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

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
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.