CID 121271

Benzamide, o-amino-n-(3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C12H19N3O
SMILES
CN(C)CCCNC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C12H19N3O/c1-15(2)9-5-8-14-12(16)10-6-3-4-7-11(10)13/h3-4,6-7H,5,8-9,13H2,1-2H3,(H,14,16)
InChIKey
HIVRPVGZEWAITM-UHFFFAOYSA-N
Compound name
2-amino-N-[3-(dimethylamino)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

221.15282 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 152.7
[M+Na]+ 244.142038 157.4
[M-H]- 220.145544 157.0
[M+NH4]+ 239.186643 170.6
[M+K]+ 260.115978 156.2
[M+H-H2O]+ 204.150080 145.2
[M+HCOO]- 266.151021 178.6
[M+CH3COO]- 280.166671 200.6
[M+Na-2H]- 242.127486 156.3
[M]+ 221.15227142 152.0
[M]- 221.15336858 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