CID 5897425

Nsc632541

Structural Information

Molecular Formula
C22H33N3O4
SMILES
CC1(CC(CC(N1)(C)C)N(C2CCCCC2)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])C
InChI
InChI=1S/C22H33N3O4/c1-21(2)14-17(15-22(3,4)23-21)24(16-8-6-5-7-9-16)19(26)12-10-18-11-13-20(29-18)25(27)28/h10-13,16-17,23H,5-9,14-15H2,1-4H3/b12-10+
InChIKey
GVQGXSUXPMJCMX-ZRDIBKRKSA-N
Compound name
(E)-N-cyclohexyl-3-(5-nitrofuran-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.2471 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.25438 197.8
[M+Na]+ 426.23632 197.9
[M-H]- 402.23982 204.8
[M+NH4]+ 421.28092 209.5
[M+K]+ 442.21026 192.0
[M+H-H2O]+ 386.24436 194.4
[M+HCOO]- 448.24530 211.4
[M+CH3COO]- 462.26095 218.3
[M+Na-2H]- 424.22177 197.5
[M]+ 403.24655 190.4
[M]- 403.24765 190.4
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.