CID 688570

Ritodrine

Structural Information

Molecular Formula
C17H21NO3
SMILES
C[C@H]([C@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O
InChI
InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m1/s1
InChIKey
IOVGROKTTNBUGK-SJKOYZFVSA-N
Compound name
4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1126
References

15617
Patents

287.15213 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 168.0
[M+Na]+ 310.14135 172.1
[M-H]- 286.14485 170.4
[M+NH4]+ 305.18595 180.9
[M+K]+ 326.11529 167.8
[M+H-H2O]+ 270.14939 160.5
[M+HCOO]- 332.15033 186.4
[M+CH3COO]- 346.16598 199.0
[M+Na-2H]- 308.12680 169.6
[M]+ 287.15158 165.7
[M]- 287.15268 165.7
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