CID 90479455

Martinostat c-11

Structural Information

Molecular Formula
C22H30N2O2
SMILES
[11CH3]N(CC1=CC=C(C=C1)/C=C/C(=O)NO)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+/i1-1
InChIKey
WNIDBXBLQFPAJA-WKEKCCTESA-N
Compound name
(E)-3-[4-[[1-adamantylmethyl((111C)methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

26
Patents

353.24216 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24944 182.7
[M+Na]+ 376.23138 180.8
[M-H]- 352.23488 179.3
[M+NH4]+ 371.27598 201.2
[M+K]+ 392.20532 176.8
[M+H-H2O]+ 336.23942 174.1
[M+HCOO]- 398.24036 188.5
[M+CH3COO]- 412.25601 187.8
[M+Na-2H]- 374.21683 190.0
[M]+ 353.24161 181.8
[M]- 353.24271 181.8
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