CID 37358

Brn 2943961

Structural Information

Molecular Formula
C18H19N
SMILES
C=C1C2=CC=CC=C2CCC3=C1C(=CC=C3)CCN
InChI
InChI=1S/C18H19N/c1-13-17-8-3-2-5-14(17)9-10-15-6-4-7-16(11-12-19)18(13)15/h2-8H,1,9-12,19H2
InChIKey
DGCIZAKTLPGKGI-UHFFFAOYSA-N
Compound name
2-(2-methylidene-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 157.1
[M+Na]+ 272.14097 169.5
[M+NH4]+ 267.18557 166.5
[M+K]+ 288.11491 161.8
[M-H]- 248.14447 161.8
[M+Na-2H]- 270.12642 163.7
[M]+ 249.15120 160.4
[M]- 249.15230 160.4
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.