CID 473684

Chembl152300

Structural Information

Molecular Formula
C27H24N4O
SMILES
C1=CC=C(C=C1)NC2=CC3=NC4=CC=CC=C4N(C3=CC2=NCCCO)C5=CC=CC=C5
InChI
InChI=1S/C27H24N4O/c32-17-9-16-28-23-19-27-25(18-24(23)29-20-10-3-1-4-11-20)30-22-14-7-8-15-26(22)31(27)21-12-5-2-6-13-21/h1-8,10-15,18-19,29,32H,9,16-17H2
InChIKey
NRUCWRWNOOWSEM-UHFFFAOYSA-N
Compound name
3-[(3-anilino-10-phenylphenazin-2-ylidene)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.195 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20228 201.5
[M+Na]+ 443.18422 208.0
[M-H]- 419.18772 209.3
[M+NH4]+ 438.22882 209.2
[M+K]+ 459.15816 199.0
[M+H-H2O]+ 403.19226 188.0
[M+HCOO]- 465.19320 221.0
[M+CH3COO]- 479.20885 209.2
[M+Na-2H]- 441.16967 209.6
[M]+ 420.19445 200.9
[M]- 420.19555 200.9
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

No patent data available for this compound.