CID 59770

103607-59-6

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC(C)NCC(COC1=NC=C2CCCCC2=C1C#N)O
InChI
InChI=1S/C16H23N3O2/c1-11(2)18-9-13(20)10-21-16-15(7-17)14-6-4-3-5-12(14)8-19-16/h8,11,13,18,20H,3-6,9-10H2,1-2H3
InChIKey
HVAJMKOVPDRTEX-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17902 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.186296 168.6
[M+Na]+ 312.168238 174.6
[M-H]- 288.171744 168.6
[M+NH4]+ 307.212843 181.1
[M+K]+ 328.142178 170.1
[M+H-H2O]+ 272.176280 154.6
[M+HCOO]- 334.177221 181.4
[M+CH3COO]- 348.192871 214.7
[M+Na-2H]- 310.153686 170.4
[M]+ 289.17847142 162.0
[M]- 289.17956858 162.0
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.