CID 3078105

Zelandopam hydrochloride

Structural Information

Molecular Formula
C15H15NO4
SMILES
C1[C@H](C2=C(CN1)C(=C(C=C2)O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H15NO4/c17-12-3-1-8(5-14(12)19)10-6-16-7-11-9(10)2-4-13(18)15(11)20/h1-5,10,16-20H,6-7H2/t10-/m0/s1
InChIKey
FULLEMQICAKPOE-JTQLQIEISA-N
Compound name
(4S)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

158
Patents

273.1001 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 161.2
[M+Na]+ 296.08932 168.8
[M-H]- 272.09282 161.4
[M+NH4]+ 291.13392 174.0
[M+K]+ 312.06326 162.7
[M+H-H2O]+ 256.09736 154.4
[M+HCOO]- 318.09830 173.9
[M+CH3COO]- 332.11395 170.6
[M+Na-2H]- 294.07477 164.3
[M]+ 273.09955 155.9
[M]- 273.10065 155.9
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