CID 57644

P-butylamino-n-(2-(diethylamino)ethyl)benzamide dihydrochloride

Structural Information

Molecular Formula
C17H29N3O
SMILES
CCCCNC1=CC=C(C=C1)C(=O)NCCN(CC)CC
InChI
InChI=1S/C17H29N3O/c1-4-7-12-18-16-10-8-15(9-11-16)17(21)19-13-14-20(5-2)6-3/h8-11,18H,4-7,12-14H2,1-3H3,(H,19,21)
InChIKey
ZFLYIHGPVCOGET-UHFFFAOYSA-N
Compound name
4-(butylamino)-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.23105 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.23833 175.1
[M+Na]+ 314.22027 177.5
[M-H]- 290.22377 178.8
[M+NH4]+ 309.26487 190.3
[M+K]+ 330.19421 175.5
[M+H-H2O]+ 274.22831 166.5
[M+HCOO]- 336.22925 199.9
[M+CH3COO]- 350.24490 216.3
[M+Na-2H]- 312.20572 177.1
[M]+ 291.23050 177.2
[M]- 291.23160 177.2
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

No patent data available for this compound.