CID 23139

6657-33-6

Structural Information

Molecular Formula
C17H16ClN5O3
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCO
InChI
InChI=1S/C17H16ClN5O3/c18-16-12-15(23(25)26)6-7-17(16)21-20-13-2-4-14(5-3-13)22(10-11-24)9-1-8-19/h2-7,12,24H,1,9-11H2
InChIKey
UHWBGWWOTKVSDD-UHFFFAOYSA-N
Compound name
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

373.09418 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10146 187.9
[M+Na]+ 396.08340 199.8
[M+NH4]+ 391.12800 191.3
[M+K]+ 412.05734 191.2
[M-H]- 372.08690 187.0
[M+Na-2H]- 394.06885 192.4
[M]+ 373.09363 188.6
[M]- 373.09473 188.6
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

patents stripe