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

6626
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 188.9
[M+Na]+ 391.16282 201.0
[M+NH4]+ 386.20742 194.3
[M+K]+ 407.13676 195.1
[M-H]- 367.16632 191.4
[M+Na-2H]- 389.14827 194.0
[M]+ 368.17305 191.1
[M]- 368.17415 191.1
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