CID 2034

Adrenochrome guanylhydrazone mesilate

Structural Information

Molecular Formula
C10H13N5O2
SMILES
CN1CC(C2=CC(=C(C=C21)O)N=NC(=N)N)O
InChI
InChI=1S/C10H13N5O2/c1-15-4-9(17)5-2-6(13-14-10(11)12)8(16)3-7(5)15/h2-3,9,16-17H,4H2,1H3,(H3,11,12)
InChIKey
IUCXVORPVOMKHU-UHFFFAOYSA-N
Compound name
1-[(3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)imino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

260
Patents

235.10692 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 148.6
[M+Na]+ 258.09614 156.3
[M-H]- 234.09964 152.4
[M+NH4]+ 253.14074 167.0
[M+K]+ 274.07008 154.0
[M+H-H2O]+ 218.10418 141.6
[M+HCOO]- 280.10512 174.0
[M+CH3COO]- 294.12077 201.6
[M+Na-2H]- 256.08159 153.1
[M]+ 235.10637 146.0
[M]- 235.10747 146.0
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