CID 384593

Nsc674605

Structural Information

Molecular Formula
C24H42N4O6
SMILES
CC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(=O)NC2CCCCC2NC(=O)OC(C)(C)C
InChI
InChI=1S/C24H42N4O6/c1-23(2,3)33-21(31)27-17-13-9-7-11-15(17)25-19(29)20(30)26-16-12-8-10-14-18(16)28-22(32)34-24(4,5)6/h15-18H,7-14H2,1-6H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKey
OCFUGYBSBVHKRH-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-oxoacetyl]amino]cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.31042 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.31770 211.8
[M+Na]+ 505.29964 207.1
[M-H]- 481.30314 215.1
[M+NH4]+ 500.34424 217.5
[M+K]+ 521.27358 208.6
[M+H-H2O]+ 465.30768 204.0
[M+HCOO]- 527.30862 223.3
[M+CH3COO]- 541.32427 246.0
[M+Na-2H]- 503.28509 209.3
[M]+ 482.30987 205.8
[M]- 482.31097 205.8
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.