CID 117761397

Mavacamten

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C[C@@H](C1=CC=CC=C1)NC2=CC(=O)N(C(=O)N2)C(C)C
InChI
InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1
InChIKey
RLCLASQCAPXVLM-NSHDSACASA-N
Compound name
6-[[(1S)-1-phenylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

183
References

244
Patents

273.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 163.1
[M+Na]+ 296.136958 170.6
[M-H]- 272.140464 166.3
[M+NH4]+ 291.181563 175.7
[M+K]+ 312.110898 166.1
[M+H-H2O]+ 256.145000 154.2
[M+HCOO]- 318.145941 182.8
[M+CH3COO]- 332.161591 200.8
[M+Na-2H]- 294.122406 166.2
[M]+ 273.14719142 162.4
[M]- 273.14828858 162.4
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