CID 213989

27448-08-4

Structural Information

Molecular Formula
C19H21NO
SMILES
CNCC(=C1C2=CC=CC=C2CCC3=CC=CC=C31)CO
InChI
InChI=1S/C19H21NO/c1-20-12-16(13-21)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,20-21H,10-13H2,1H3
InChIKey
VFHHHDMJIVBHPB-UHFFFAOYSA-N
Compound name
3-(methylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 164.2
[M+Na]+ 302.15154 168.7
[M-H]- 278.15504 168.9
[M+NH4]+ 297.19614 180.5
[M+K]+ 318.12548 167.4
[M+H-H2O]+ 262.15958 159.3
[M+HCOO]- 324.16052 182.3
[M+CH3COO]- 338.17617 174.3
[M+Na-2H]- 300.13699 169.5
[M]+ 279.16177 159.2
[M]- 279.16287 159.2
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.