CID 4135658

3-[(4-nitrophenyl)azo]-9h-carbazole-9-ethanol

Structural Information

Molecular Formula
C20H16N4O3
SMILES
C1=CC=C2C(=C1)C3=C(N2CCO)C=CC(=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H16N4O3/c25-12-11-23-19-4-2-1-3-17(19)18-13-15(7-10-20(18)23)22-21-14-5-8-16(9-6-14)24(26)27/h1-10,13,25H,11-12H2
InChIKey
UAWDYRPQXCAZKV-UHFFFAOYSA-N
Compound name
2-[3-[(4-nitrophenyl)diazenyl]carbazol-9-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

360.12225 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 179.9
[M+Na]+ 383.11147 187.0
[M-H]- 359.11497 189.0
[M+NH4]+ 378.15607 193.7
[M+K]+ 399.08541 177.9
[M+H-H2O]+ 343.11951 174.2
[M+HCOO]- 405.12045 206.9
[M+CH3COO]- 419.13610 216.7
[M+Na-2H]- 381.09692 189.7
[M]+ 360.12170 182.2
[M]- 360.12280 182.2
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

No patent data available for this compound.