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
6
Annotation Hits

112
References

1859
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

literature stripe

Patent stripe

patents stripe