CID 71543365

Iadademstat

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CC(CCC1N)N[C@@H]2C[C@H]2C3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
InChIKey
ALHBJBCQLJZYON-PFSRBDOWSA-N
Compound name
4-N-[(1R,2S)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

976
Patents

230.1783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.185576 147.0
[M+Na]+ 253.167518 152.4
[M-H]- 229.171024 156.0
[M+NH4]+ 248.212123 159.3
[M+K]+ 269.141458 148.1
[M+H-H2O]+ 213.175560 139.4
[M+HCOO]- 275.176501 169.1
[M+CH3COO]- 289.192151 158.1
[M+Na-2H]- 251.152966 151.1
[M]+ 230.17775142 142.2
[M]- 230.17884858 142.2
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