CID 24763747

1003922-03-9

Structural Information

Molecular Formula
C22H44N4OS
SMILES
CCCN(CCC)[C@@H]1CCCC[C@H]1NC(=S)N[C@H](C(=O)NC(C)C)C(C)(C)C
InChI
InChI=1S/C22H44N4OS/c1-8-14-26(15-9-2)18-13-11-10-12-17(18)24-21(28)25-19(22(5,6)7)20(27)23-16(3)4/h16-19H,8-15H2,1-7H3,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m1/s1
InChIKey
XULQYZJFCNMXTM-GUDVDZBRSA-N
Compound name
(2S)-2-[[(1R,2R)-2-(dipropylamino)cyclohexyl]carbamothioylamino]-3,3-dimethyl-N-propan-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.32358 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.33086 205.9
[M+Na]+ 435.31280 206.9
[M+NH4]+ 430.35740 210.1
[M+K]+ 451.28674 201.9
[M-H]- 411.31630 206.7
[M+Na-2H]- 433.29825 205.3
[M]+ 412.32303 206.0
[M]- 412.32413 206.0
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

No patent data available for this compound.