CID 16772066

3-(aminomethyl)-n-[2-(dimethylamino)ethyl]benzamide

Structural Information

Molecular Formula
C12H19N3O
SMILES
CN(C)CCNC(=O)C1=CC=CC(=C1)CN
InChI
InChI=1S/C12H19N3O/c1-15(2)7-6-14-12(16)11-5-3-4-10(8-11)9-13/h3-5,8H,6-7,9,13H2,1-2H3,(H,14,16)
InChIKey
LCPVXBFIGZXBDU-UHFFFAOYSA-N
Compound name
3-(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 152.7
[M+Na]+ 244.14204 157.4
[M-H]- 220.14554 157.0
[M+NH4]+ 239.18664 170.6
[M+K]+ 260.11598 156.2
[M+H-H2O]+ 204.15008 145.2
[M+HCOO]- 266.15102 178.6
[M+CH3COO]- 280.16667 200.6
[M+Na-2H]- 242.12749 156.3
[M]+ 221.15227 152.0
[M]- 221.15337 152.0
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