CID 124619

3-methoxy-n,n'-diaminophthalamide

Structural Information

Molecular Formula
C9H12N4O3
SMILES
COC1=CC=CC(=C1C(=O)NN)C(=O)NN
InChI
InChI=1S/C9H12N4O3/c1-16-6-4-2-3-5(8(14)12-10)7(6)9(15)13-11/h2-4H,10-11H2,1H3,(H,12,14)(H,13,15)
InChIKey
GNTXGAAFFYOMLW-UHFFFAOYSA-N
Compound name
3-methoxybenzene-1,2-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

224.09094 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09822 147.2
[M+Na]+ 247.08016 152.9
[M-H]- 223.08366 150.4
[M+NH4]+ 242.12476 163.6
[M+K]+ 263.05410 151.9
[M+H-H2O]+ 207.08820 139.7
[M+HCOO]- 269.08914 173.5
[M+CH3COO]- 283.10479 198.2
[M+Na-2H]- 245.06561 150.5
[M]+ 224.09039 144.2
[M]- 224.09149 144.2
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

No patent data available for this compound.