CID 16776998

4-(aminomethyl)-n-[2-(dimethylamino)ethyl]benzamide dihydrochloride

Structural Information

Molecular Formula
C12H19N3O
SMILES
CN(C)CCNC(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C12H19N3O/c1-15(2)8-7-14-12(16)11-5-3-10(9-13)4-6-11/h3-6H,7-9,13H2,1-2H3,(H,14,16)
InChIKey
MPJZAJXRNRVVHO-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-[2-(dimethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

221.15282 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 153.0
[M+Na]+ 244.14204 162.0
[M+NH4]+ 239.18664 160.2
[M+K]+ 260.11598 156.5
[M-H]- 220.14554 156.2
[M+Na-2H]- 242.12749 158.5
[M]+ 221.15227 154.8
[M]- 221.15337 154.8
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

patents stripe