CID 403176

5-iodo-indirubin-3'-monoxime

Structural Information

Molecular Formula
C16H10IN3O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)I)O)N=O
InChI
InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
InChIKey
WCCYEJYTLNWYCC-UHFFFAOYSA-N
Compound name
5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

348
Patents

402.98178 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.98906 167.3
[M+Na]+ 425.97100 172.7
[M-H]- 401.97450 165.9
[M+NH4]+ 421.01560 179.7
[M+K]+ 441.94494 171.7
[M+H-H2O]+ 385.97904 156.7
[M+HCOO]- 447.97998 185.5
[M+CH3COO]- 461.99563 175.8
[M+Na-2H]- 423.95645 161.4
[M]+ 402.98123 167.4
[M]- 402.98233 167.4
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