CID 202378

Hg-1590

Structural Information

Molecular Formula
C22H36N2O2
SMILES
CCCCCCCCCOC1=CC=CC=C1C(=O)NCCN2CCCC2
InChI
InChI=1S/C22H36N2O2/c1-2-3-4-5-6-7-12-19-26-21-14-9-8-13-20(21)22(25)23-15-18-24-16-10-11-17-24/h8-9,13-14H,2-7,10-12,15-19H2,1H3,(H,23,25)
InChIKey
UZPBVQUXWZZNOQ-UHFFFAOYSA-N
Compound name
2-nonoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.27768 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28496 194.0
[M+Na]+ 383.26690 194.7
[M-H]- 359.27040 196.9
[M+NH4]+ 378.31150 206.2
[M+K]+ 399.24084 190.4
[M+H-H2O]+ 343.27494 184.0
[M+HCOO]- 405.27588 212.8
[M+CH3COO]- 419.29153 218.5
[M+Na-2H]- 381.25235 191.8
[M]+ 360.27713 195.3
[M]- 360.27823 195.3
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.