CID 135596601

57206-83-4

Structural Information

Molecular Formula
C21H21N3O4
SMILES
CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C21H21N3O4/c1-4-21(2,3)14-11-16(20(26)17(12-14)24(27)28)22-23-19-15-8-6-5-7-13(15)9-10-18(19)25/h5-12,25-26H,4H2,1-3H3
InChIKey
CZBFBSUXMLZAMK-UHFFFAOYSA-N
Compound name
1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

379.1532 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 188.5
[M+Na]+ 402.14242 202.3
[M+NH4]+ 397.18702 195.3
[M+K]+ 418.11636 197.9
[M-H]- 378.14592 194.9
[M+Na-2H]- 400.12787 195.8
[M]+ 379.15265 192.2
[M]- 379.15375 192.2
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