CID 54070

N-(3-aminopropyl)-o-isopropoxybenzamide hydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)OC1=CC=CC=C1C(=O)NCCCN
InChI
InChI=1S/C13H20N2O2/c1-10(2)17-12-7-4-3-6-11(12)13(16)15-9-5-8-14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKey
DTPQATKVPBBRCZ-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-2-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.9
[M+Na]+ 259.14170 161.5
[M-H]- 235.14520 159.5
[M+NH4]+ 254.18630 173.7
[M+K]+ 275.11564 159.6
[M+H-H2O]+ 219.14974 149.7
[M+HCOO]- 281.15068 180.1
[M+CH3COO]- 295.16633 198.0
[M+Na-2H]- 257.12715 159.1
[M]+ 236.15193 156.8
[M]- 236.15303 156.8
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.