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]+ 292.108046 163.9
[M+Na]+ 314.089988 176.6
[M-H]- 290.093494 170.0
[M+NH4]+ 309.134593 181.5
[M+K]+ 330.063928 169.5
[M+H-H2O]+ 274.098030 156.9
[M+HCOO]- 336.098971 187.3
[M+CH3COO]- 350.114621 176.8
[M+Na-2H]- 312.075436 169.0
[M]+ 291.10022142 167.3
[M]- 291.10131858 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

literature stripe

Patent stripe

patents stripe