CID 30031858

3-amino-4-(dimethylamino)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.1
[M+Na]+ 202.09509 146.0
[M-H]- 178.09859 143.8
[M+NH4]+ 197.13969 158.7
[M+K]+ 218.06903 145.2
[M+H-H2O]+ 162.10313 132.5
[M+HCOO]- 224.10407 165.4
[M+CH3COO]- 238.11972 192.8
[M+Na-2H]- 200.08054 142.5
[M]+ 179.10532 136.8
[M]- 179.10642 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