CID 2557

Carbazochrome

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

112
References

2098
Patents

236.09094 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 148.3
[M+Na]+ 259.08016 156.7
[M-H]- 235.08366 152.1
[M+NH4]+ 254.12476 167.0
[M+K]+ 275.05410 154.8
[M+H-H2O]+ 219.08820 141.6
[M+HCOO]- 281.08914 172.9
[M+CH3COO]- 295.10479 198.4
[M+Na-2H]- 257.06561 152.4
[M]+ 236.09039 147.8
[M]- 236.09149 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.