CID 25576

N-(2-aminoethyl)-o-butoxybenzamide hydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCCCOC1=CC=CC=C1C(=O)NCCN
InChI
InChI=1S/C13H20N2O2/c1-2-3-10-17-12-7-5-4-6-11(12)13(16)15-9-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)
InChIKey
TXTJACNUPZMFPH-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-butoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.0
[M+Na]+ 259.14170 160.9
[M-H]- 235.14520 158.6
[M+NH4]+ 254.18630 172.9
[M+K]+ 275.11564 158.5
[M+H-H2O]+ 219.14974 148.7
[M+HCOO]- 281.15068 180.3
[M+CH3COO]- 295.16633 197.2
[M+Na-2H]- 257.12715 159.6
[M]+ 236.15193 156.6
[M]- 236.15303 156.6
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