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 188.2
[M+Na]+ 402.14242 193.9
[M-H]- 378.14592 196.0
[M+NH4]+ 397.18702 199.6
[M+K]+ 418.11636 186.0
[M+H-H2O]+ 362.15046 183.7
[M+HCOO]- 424.15140 211.5
[M+CH3COO]- 438.16705 220.9
[M+Na-2H]- 400.12787 196.1
[M]+ 379.15265 189.1
[M]- 379.15375 189.1
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