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]+ 290.18630 171.9
[M+Na]+ 312.16824 180.9
[M+NH4]+ 307.21284 175.2
[M+K]+ 328.14218 172.1
[M-H]- 288.17174 165.8
[M+Na-2H]- 310.15369 172.2
[M]+ 289.17847 170.3
[M]- 289.17957 170.3
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.