CID 381993

Nsc669319

Structural Information

Molecular Formula
C13H15N5O
SMILES
C1CCN=C(NC1)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C13H15N5O/c19-12-11(9-5-1-2-6-10(9)16-12)17-18-13-14-7-3-4-8-15-13/h1-2,5-6,16,19H,3-4,7-8H2,(H,14,15)
InChIKey
HIXHHQKGRLIGMI-UHFFFAOYSA-N
Compound name
3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yldiazenyl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.12766 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 157.9
[M+Na]+ 280.11688 164.5
[M-H]- 256.12038 162.1
[M+NH4]+ 275.16148 171.4
[M+K]+ 296.09082 163.5
[M+H-H2O]+ 240.12492 147.7
[M+HCOO]- 302.12586 178.3
[M+CH3COO]- 316.14151 168.2
[M+Na-2H]- 278.10233 164.5
[M]+ 257.12711 151.9
[M]- 257.12821 151.9
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

patents stripe