CID 21885336

154279-60-4

Structural Information

Molecular Formula
C21H42N2
SMILES
CCC(C)NC1CCC(CC1)CC2CCC(CC2)NC(C)CC
InChI
InChI=1S/C21H42N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h16-23H,5-15H2,1-4H3
InChIKey
PICLBAFTFYTURY-UHFFFAOYSA-N
Compound name
N-butan-2-yl-4-[[4-(butan-2-ylamino)cyclohexyl]methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1408
Patents

322.3348 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.34208 187.7
[M+Na]+ 345.32402 184.7
[M-H]- 321.32752 190.9
[M+NH4]+ 340.36862 200.7
[M+K]+ 361.29796 181.4
[M+H-H2O]+ 305.33206 179.1
[M+HCOO]- 367.33300 200.9
[M+CH3COO]- 381.34865 219.2
[M+Na-2H]- 343.30947 182.8
[M]+ 322.33425 178.6
[M]- 322.33535 178.6
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