CID 12715797

2-amino-5-(dimethylamino)benzamide

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN(C)C1=CC(=C(C=C1)N)C(=O)N
InChI
InChI=1S/C9H13N3O/c1-12(2)6-3-4-8(10)7(5-6)9(11)13/h3-5H,10H2,1-2H3,(H2,11,13)
InChIKey
BKIBPJMQGQSAGT-UHFFFAOYSA-N
Compound name
2-amino-5-(dimethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

179.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 139.1
[M+Na]+ 202.095088 146.0
[M-H]- 178.098594 143.8
[M+NH4]+ 197.139693 158.7
[M+K]+ 218.069028 145.2
[M+H-H2O]+ 162.103130 132.5
[M+HCOO]- 224.104071 165.4
[M+CH3COO]- 238.119721 192.8
[M+Na-2H]- 200.080536 142.5
[M]+ 179.10532142 136.8
[M]- 179.10641858 136.8
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