CID 96025689

Sunflower seed oil

Structural Information

Molecular Formula
C18H19N3
SMILES
CC1=C2CCN[C@H](C2=C(C=C1)C)C3=C4C=CC=CC4=NN3
InChI
InChI=1S/C18H19N3/c1-11-7-8-12(2)16-13(11)9-10-19-18(16)17-14-5-3-4-6-15(14)20-21-17/h3-8,18-19H,9-10H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKey
LGJWUKQVDMQKAA-GOSISDBHSA-N
Compound name
(1R)-1-(2H-indazol-3-yl)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1772
References

0
Patents

277.1579 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16518 167.1
[M+Na]+ 300.14712 176.6
[M-H]- 276.15062 169.4
[M+NH4]+ 295.19172 181.9
[M+K]+ 316.12106 168.1
[M+H-H2O]+ 260.15516 157.9
[M+HCOO]- 322.15610 181.9
[M+CH3COO]- 336.17175 177.2
[M+Na-2H]- 298.13257 171.0
[M]+ 277.15735 163.9
[M]- 277.15845 163.9
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.