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

literature stripe

Patent stripe

patents stripe