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]+ 225.098216 147.2
[M+Na]+ 247.080158 152.9
[M-H]- 223.083664 150.4
[M+NH4]+ 242.124763 163.6
[M+K]+ 263.054098 151.9
[M+H-H2O]+ 207.088200 139.7
[M+HCOO]- 269.089141 173.5
[M+CH3COO]- 283.104791 198.2
[M+Na-2H]- 245.065606 150.5
[M]+ 224.09039142 144.2
[M]- 224.09148858 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

literature stripe

Patent stripe

patents stripe