CID 3410

Formoterol

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
InChI
InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
InChIKey
BPZSYCZIITTYBL-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2714
References

54632
Patents

344.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 181.9
[M+Na]+ 367.16282 185.6
[M-H]- 343.16632 185.6
[M+NH4]+ 362.20742 192.9
[M+K]+ 383.13676 182.1
[M+H-H2O]+ 327.17086 173.2
[M+HCOO]- 389.17180 202.5
[M+CH3COO]- 403.18745 215.3
[M+Na-2H]- 365.14827 182.7
[M]+ 344.17305 182.5
[M]- 344.17415 182.5
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.