CID 52097

Ba 98

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCOC1=CC=CC=C1C(=O)NCCN2CCCC2
InChI
InChI=1S/C16H24N2O2/c1-2-13-20-15-8-4-3-7-14(15)16(19)17-9-12-18-10-5-6-11-18/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,17,19)
InChIKey
ZEKKGCNVBCOGIH-UHFFFAOYSA-N
Compound name
2-propoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

276.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 167.3
[M+Na]+ 299.172998 170.8
[M-H]- 275.176504 171.5
[M+NH4]+ 294.217603 183.1
[M+K]+ 315.146938 167.8
[M+H-H2O]+ 259.181040 158.6
[M+HCOO]- 321.181981 188.3
[M+CH3COO]- 335.197631 200.6
[M+Na-2H]- 297.158446 168.3
[M]+ 276.18323142 166.6
[M]- 276.18432858 166.6
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

patents stripe