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]+ 250.159026 156.7
[M+Na]+ 272.140968 163.2
[M-H]- 248.144474 162.7
[M+NH4]+ 267.185573 174.9
[M+K]+ 288.114908 161.4
[M+H-H2O]+ 232.149010 151.9
[M+HCOO]- 294.149951 176.7
[M+CH3COO]- 308.165601 168.2
[M+Na-2H]- 270.126416 162.3
[M]+ 249.15120142 151.9
[M]- 249.15229858 151.9
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.