CID 3046127

2-formyl-1,2,3,4-tetrahydro-5-(2-hydroxy-3-isopropylaminopropoxy)isoquinoline

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1CCN(C2)C=O)O
InChI
InChI=1S/C16H24N2O3/c1-12(2)17-8-14(20)10-21-16-5-3-4-13-9-18(11-19)7-6-15(13)16/h3-5,11-12,14,17,20H,6-10H2,1-2H3
InChIKey
AJLVCVJPQIDMLV-UHFFFAOYSA-N
Compound name
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

292.17868 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 169.7
[M+Na]+ 315.16790 178.9
[M+NH4]+ 310.21250 176.0
[M+K]+ 331.14184 173.6
[M-H]- 291.17140 170.4
[M+Na-2H]- 313.15335 172.4
[M]+ 292.17813 170.8
[M]- 292.17923 170.8
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

patents stripe