CID 135418352

Schembl3857813

Structural Information

Molecular Formula
C17H13N3O2
SMILES
CC1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O
InChI
InChI=1S/C17H13N3O2/c1-9-6-7-13-11(8-9)14(17(21)19-13)16-15(20-22)10-4-2-3-5-12(10)18-16/h2-8,18-19,21H,1H3
InChIKey
ULHUMANZKRBOMF-UHFFFAOYSA-N
Compound name
5-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

291.10077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 163.9
[M+Na]+ 314.08999 176.6
[M-H]- 290.09349 170.0
[M+NH4]+ 309.13459 181.5
[M+K]+ 330.06393 169.5
[M+H-H2O]+ 274.09803 156.9
[M+HCOO]- 336.09897 187.3
[M+CH3COO]- 350.11462 176.8
[M+Na-2H]- 312.07544 169.0
[M]+ 291.10022 167.3
[M]- 291.10132 167.3
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.