CID 135409350

Trimidox

Structural Information

Molecular Formula
C7H8N2O4
SMILES
C1=C(C=C(C(=C1O)O)O)/C(=N/O)/N
InChI
InChI=1S/C7H8N2O4/c8-7(9-13)3-1-4(10)6(12)5(11)2-3/h1-2,10-13H,(H2,8,9)
InChIKey
MSLJYSGFUMYUDX-UHFFFAOYSA-N
Compound name
N',3,4,5-tetrahydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

5
Patents

184.0484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 135.3
[M+Na]+ 207.03762 143.1
[M-H]- 183.04112 135.5
[M+NH4]+ 202.08222 152.6
[M+K]+ 223.01156 140.8
[M+H-H2O]+ 167.04566 129.8
[M+HCOO]- 229.04660 157.4
[M+CH3COO]- 243.06225 179.0
[M+Na-2H]- 205.02307 139.1
[M]+ 184.04785 131.8
[M]- 184.04895 131.8
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