CID 59312

102366-82-5

Structural Information

Molecular Formula
C20H37N3O4
SMILES
CC(C)(C)N(C(=O)CC(CCC(=O)N)C1CCCCC1[N+](=O)[O-])C(C)(C)C
InChI
InChI=1S/C20H37N3O4/c1-19(2,3)22(20(4,5)6)18(25)13-14(11-12-17(21)24)15-9-7-8-10-16(15)23(26)27/h14-16H,7-13H2,1-6H3,(H2,21,24)
InChIKey
BBNXIROMEHRFQA-UHFFFAOYSA-N
Compound name
N,N-ditert-butyl-3-(2-nitrocyclohexyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2784 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28568 191.7
[M+Na]+ 406.26762 190.5
[M-H]- 382.27112 194.0
[M+NH4]+ 401.31222 212.7
[M+K]+ 422.24156 186.7
[M+H-H2O]+ 366.27566 190.0
[M+HCOO]- 428.27660 214.6
[M+CH3COO]- 442.29225 223.2
[M+Na-2H]- 404.25307 191.1
[M]+ 383.27785 187.6
[M]- 383.27895 187.6
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

No patent data available for this compound.