CID 121781

30552-37-5

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CN1CC(C2=CC(=C(C=C21)N=NC(=O)N)O)O
InChI
InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-8(15)6(3-7(5)14)12-13-10(11)17/h2-3,9,15-16H,4H2,1H3,(H2,11,17)
InChIKey
MLPQKUXROCKTSE-UHFFFAOYSA-N
Compound name
(3,5-dihydroxy-1-methyl-2,3-dihydroindol-6-yl)iminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.098216 148.3
[M+Na]+ 259.080158 156.7
[M-H]- 235.083664 152.1
[M+NH4]+ 254.124763 167.0
[M+K]+ 275.054098 154.8
[M+H-H2O]+ 219.088200 141.6
[M+HCOO]- 281.089141 172.9
[M+CH3COO]- 295.104791 198.4
[M+Na-2H]- 257.065606 152.4
[M]+ 236.09039142 147.8
[M]- 236.09148858 147.8
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.