CID 21885475

154279-61-5

Structural Information

Molecular Formula
C23H46N2
SMILES
CCC(C)NC1CCC(CC1C)CC2CCC(C(C2)C)NC(C)CC
InChI
InChI=1S/C23H46N2/c1-7-18(5)24-22-11-9-20(13-16(22)3)15-21-10-12-23(17(4)14-21)25-19(6)8-2/h16-25H,7-15H2,1-6H3
InChIKey
UYJAZJKFSBFUQT-UHFFFAOYSA-N
Compound name
N-butan-2-yl-4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

350.3661 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.37338 196.5
[M+Na]+ 373.35532 194.5
[M-H]- 349.35882 200.1
[M+NH4]+ 368.39992 209.0
[M+K]+ 389.32926 190.9
[M+H-H2O]+ 333.36336 188.2
[M+HCOO]- 395.36430 208.9
[M+CH3COO]- 409.37995 227.6
[M+Na-2H]- 371.34077 189.2
[M]+ 350.36555 188.9
[M]- 350.36665 188.9
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