CID 6420504

47132-19-4

Structural Information

Molecular Formula
C19H21NO
SMILES
CNCC/C=C\1/C2=CC=CC=C2CC(C3=CC=CC=C31)O
InChI
InChI=1S/C19H21NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11-
InChIKey
VAGXZGJKNUNLHK-WJDWOHSUSA-N
Compound name
(2Z)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

83
References

89
Patents

279.16232 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 164.6
[M+Na]+ 302.151538 170.2
[M-H]- 278.155044 169.6
[M+NH4]+ 297.196143 181.2
[M+K]+ 318.125478 168.4
[M+H-H2O]+ 262.159580 159.6
[M+HCOO]- 324.160521 183.5
[M+CH3COO]- 338.176171 175.1
[M+Na-2H]- 300.136986 170.3
[M]+ 279.16177142 160.5
[M]- 279.16286858 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe