CID 63952

Carmoterol

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O
InChI
InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1
InChIKey
IHOXNOQMRZISPV-YJYMSZOUSA-N
Compound name
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

6721
Patents

368.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 187.3
[M+Na]+ 391.16282 192.6
[M-H]- 367.16632 189.4
[M+NH4]+ 386.20742 196.6
[M+K]+ 407.13676 187.2
[M+H-H2O]+ 351.17086 178.3
[M+HCOO]- 413.17180 202.9
[M+CH3COO]- 427.18745 215.7
[M+Na-2H]- 389.14827 189.0
[M]+ 368.17305 187.1
[M]- 368.17415 187.1
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.