CID 376005

Nsc656385

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CC1(C2CCC1(C(C2)NC(=O)COCCOCC(=O)N)C)C
InChI
InChI=1S/C16H28N2O4/c1-15(2)11-4-5-16(15,3)12(8-11)18-14(20)10-22-7-6-21-9-13(17)19/h11-12H,4-10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKey
IRNKFZWRARRMNB-UHFFFAOYSA-N
Compound name
2-[2-[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethoxy]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.2049 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21218 173.9
[M+Na]+ 335.19412 178.4
[M-H]- 311.19762 175.4
[M+NH4]+ 330.23872 196.6
[M+K]+ 351.16806 176.6
[M+H-H2O]+ 295.20216 170.3
[M+HCOO]- 357.20310 193.1
[M+CH3COO]- 371.21875 210.8
[M+Na-2H]- 333.17957 174.7
[M]+ 312.20435 176.2
[M]- 312.20545 176.2
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.