CID 165933770

2-[ethyl(nitroso)amino]ethyl 3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoate

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CCN(CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32)N=O
InChI
InChI=1S/C22H28N2O4/c1-2-24(23-26)12-14-28-22(25)19(16-20-10-6-13-27-20)15-18-9-5-8-17-7-3-4-11-21(17)18/h3-5,7-9,11,19-20H,2,6,10,12-16H2,1H3
InChIKey
CDMMVWDDMMNFIE-UHFFFAOYSA-N
Compound name
2-[ethyl(nitroso)amino]ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 194.7
[M+Na]+ 407.19412 196.2
[M-H]- 383.19762 203.7
[M+NH4]+ 402.23872 207.3
[M+K]+ 423.16806 195.8
[M+H-H2O]+ 367.20216 185.2
[M+HCOO]- 429.20310 216.1
[M+CH3COO]- 443.21875 228.7
[M+Na-2H]- 405.17957 195.4
[M]+ 384.20435 198.6
[M]- 384.20545 198.6
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.