CID 394281

Nsc697647

Structural Information

Molecular Formula
C10H11N5O
SMILES
CN=C(N)N=NC1=C(NC2=CC=CC=C21)O
InChI
InChI=1S/C10H11N5O/c1-12-10(11)15-14-8-6-4-2-3-5-7(6)13-9(8)16/h2-5,13,16H,1H3,(H2,11,12)
InChIKey
UGPIXTFZKJOHJT-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-1H-indol-3-yl)imino]-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 143.0
[M+Na]+ 240.08558 151.5
[M-H]- 216.08908 148.3
[M+NH4]+ 235.13018 162.6
[M+K]+ 256.05952 148.9
[M+H-H2O]+ 200.09362 135.3
[M+HCOO]- 262.09456 172.7
[M+CH3COO]- 276.11021 197.7
[M+Na-2H]- 238.07103 151.2
[M]+ 217.09581 142.8
[M]- 217.09691 142.8
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.