CID 379927

Nsc665119

Structural Information

Molecular Formula
C18H33NO4
SMILES
CC1(C2CCC1(C(C2)NC(=O)CCOCCOCCOC)C)C
InChI
InChI=1S/C18H33NO4/c1-17(2)14-5-7-18(17,3)15(13-14)19-16(20)6-8-22-11-12-23-10-9-21-4/h14-15H,5-13H2,1-4H3,(H,19,20)
InChIKey
ZSWXTNGZQGBTQX-UHFFFAOYSA-N
Compound name
3-[2-(2-methoxyethoxy)ethoxy]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

327.24097 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24825 180.9
[M+Na]+ 350.23019 185.5
[M-H]- 326.23369 182.6
[M+NH4]+ 345.27479 203.9
[M+K]+ 366.20413 183.5
[M+H-H2O]+ 310.23823 177.0
[M+HCOO]- 372.23917 200.0
[M+CH3COO]- 386.25482 212.0
[M+Na-2H]- 348.21564 182.1
[M]+ 327.24042 186.9
[M]- 327.24152 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe