CID 37357

Brn 2943960

Structural Information

Molecular Formula
C18H19N
SMILES
CNCC1=CC=CC2=C1C(=C)C3=CC=CC=C3CC2
InChI
InChI=1S/C18H19N/c1-13-17-9-4-3-6-14(17)10-11-15-7-5-8-16(12-19-2)18(13)15/h3-9,19H,1,10-12H2,2H3
InChIKey
RDPWYSJKXHFDNV-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-methylidene-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine
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 156.3
[M+Na]+ 272.140968 162.8
[M-H]- 248.144474 162.8
[M+NH4]+ 267.185573 174.8
[M+K]+ 288.114908 161.2
[M+H-H2O]+ 232.149010 151.5
[M+HCOO]- 294.149951 176.8
[M+CH3COO]- 308.165601 168.0
[M+Na-2H]- 270.126416 162.9
[M]+ 249.15120142 152.4
[M]- 249.15229858 152.4
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.