CID 81173

6657-32-5

Structural Information

Molecular Formula
C17H17N5O3
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCC#N)CCO
InChI
InChI=1S/C17H17N5O3/c18-10-1-11-21(12-13-23)16-6-2-14(3-7-16)19-20-15-4-8-17(9-5-15)22(24)25/h2-9,23H,1,11-13H2
InChIKey
OGHAROMWUKGSDP-UHFFFAOYSA-N
Compound name
3-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

339.13315 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14043 184.3
[M+Na]+ 362.12237 195.1
[M+NH4]+ 357.16697 187.4
[M+K]+ 378.09631 187.1
[M-H]- 338.12587 183.2
[M+Na-2H]- 360.10782 188.8
[M]+ 339.13260 184.4
[M]- 339.13370 184.4
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