CID 366654

Nsc635329

Structural Information

Molecular Formula
C11H11N7O
SMILES
CC1=NN=C(N1N)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C11H11N7O/c1-6-14-16-11(18(6)12)17-15-9-7-4-2-3-5-8(7)13-10(9)19/h2-5,13,19H,12H2,1H3
InChIKey
BOBZKHLJPPBCGK-UHFFFAOYSA-N
Compound name
3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)diazenyl]-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1025 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10978 153.1
[M+Na]+ 280.09172 164.4
[M-H]- 256.09522 157.7
[M+NH4]+ 275.13632 168.7
[M+K]+ 296.06566 159.9
[M+H-H2O]+ 240.09976 143.8
[M+HCOO]- 302.10070 179.0
[M+CH3COO]- 316.11635 165.8
[M+Na-2H]- 278.07717 159.5
[M]+ 257.10195 154.6
[M]- 257.10305 154.6
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.