CID 22967232

41616-02-8

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CNC(=O)C1=CC(=CC(=C1)N)C(=O)NC
InChI
InChI=1S/C10H13N3O2/c1-12-9(14)6-3-7(10(15)13-2)5-8(11)4-6/h3-5H,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKey
OUAGKUUKYRRPLE-UHFFFAOYSA-N
Compound name
5-amino-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

207.10077 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.108046 145.8
[M+Na]+ 230.089988 152.1
[M-H]- 206.093494 149.4
[M+NH4]+ 225.134593 163.7
[M+K]+ 246.063928 150.5
[M+H-H2O]+ 190.098030 139.0
[M+HCOO]- 252.098971 171.2
[M+CH3COO]- 266.114621 194.0
[M+Na-2H]- 228.075436 149.2
[M]+ 207.10022142 143.5
[M]- 207.10131858 143.5
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