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]+ 380.160476 188.2
[M+Na]+ 402.142418 193.9
[M-H]- 378.145924 196.0
[M+NH4]+ 397.187023 199.6
[M+K]+ 418.116358 186.0
[M+H-H2O]+ 362.150460 183.7
[M+HCOO]- 424.151401 211.5
[M+CH3COO]- 438.167051 220.9
[M+Na-2H]- 400.127866 196.1
[M]+ 379.15265142 189.1
[M]- 379.15374858 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