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]+ 280.169596 164.2
[M+Na]+ 302.151538 168.7
[M-H]- 278.155044 168.9
[M+NH4]+ 297.196143 180.5
[M+K]+ 318.125478 167.4
[M+H-H2O]+ 262.159580 159.3
[M+HCOO]- 324.160521 182.3
[M+CH3COO]- 338.176171 174.3
[M+Na-2H]- 300.136986 169.5
[M]+ 279.16177142 159.2
[M]- 279.16286858 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.