CID 187075

Mk 1-907 hydrochloride

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CC1(CC(=C(C(=O)C1)CN(C)CCC2=CC=CC=C2)NC3=CC(=CC=C3)OC)C
InChI
InChI=1S/C25H32N2O2/c1-25(2)16-23(26-20-11-8-12-21(15-20)29-4)22(24(28)17-25)18-27(3)14-13-19-9-6-5-7-10-19/h5-12,15,26H,13-14,16-18H2,1-4H3
InChIKey
JYURELZDJNNIIV-UHFFFAOYSA-N
Compound name
3-(3-methoxyanilino)-5,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.24637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.253646 198.4
[M+Na]+ 415.235588 202.5
[M-H]- 391.239094 208.5
[M+NH4]+ 410.280193 211.4
[M+K]+ 431.209528 198.5
[M+H-H2O]+ 375.243630 188.0
[M+HCOO]- 437.244571 220.4
[M+CH3COO]- 451.260221 232.1
[M+Na-2H]- 413.221036 199.4
[M]+ 392.24582142 199.5
[M]- 392.24691858 199.5
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

patents stripe