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]+ 393.25365 198.4
[M+Na]+ 415.23559 202.5
[M-H]- 391.23909 208.5
[M+NH4]+ 410.28019 211.4
[M+K]+ 431.20953 198.5
[M+H-H2O]+ 375.24363 188.0
[M+HCOO]- 437.24457 220.4
[M+CH3COO]- 451.26022 232.1
[M+Na-2H]- 413.22104 199.4
[M]+ 392.24582 199.5
[M]- 392.24692 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