CID 57357

4-amino-2-butoxy-n-(2-(diethylamino)ethyl)benzamide hydrochloride

Structural Information

Molecular Formula
C17H29N3O2
SMILES
CCCCOC1=C(C=CC(=C1)N)C(=O)NCCN(CC)CC
InChI
InChI=1S/C17H29N3O2/c1-4-7-12-22-16-13-14(18)8-9-15(16)17(21)19-10-11-20(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKey
HRSOZJQYKMMUBZ-UHFFFAOYSA-N
Compound name
4-amino-2-butoxy-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.22598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.23326 178.3
[M+Na]+ 330.21520 181.6
[M-H]- 306.21870 181.9
[M+NH4]+ 325.25980 192.8
[M+K]+ 346.18914 179.8
[M+H-H2O]+ 290.22324 169.8
[M+HCOO]- 352.22418 202.7
[M+CH3COO]- 366.23983 219.0
[M+Na-2H]- 328.20065 178.6
[M]+ 307.22543 181.2
[M]- 307.22653 181.2
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