CID 473682

Chembl268728

Structural Information

Molecular Formula
C26H22N4O
SMILES
C1=CC=C(C=C1)NC2=CC3=NC4=CC=CC=C4N(C3=CC2=NCCO)C5=CC=CC=C5
InChI
InChI=1S/C26H22N4O/c31-16-15-27-22-18-26-24(17-23(22)28-19-9-3-1-4-10-19)29-21-13-7-8-14-25(21)30(26)20-11-5-2-6-12-20/h1-14,17-18,28,31H,15-16H2
InChIKey
RRTYDOBAWIJXFL-UHFFFAOYSA-N
Compound name
2-[(3-anilino-10-phenylphenazin-2-ylidene)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.17935 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18663 197.2
[M+Na]+ 429.16857 204.3
[M-H]- 405.17207 205.3
[M+NH4]+ 424.21317 205.6
[M+K]+ 445.14251 195.4
[M+H-H2O]+ 389.17661 184.0
[M+HCOO]- 451.17755 217.2
[M+CH3COO]- 465.19320 205.5
[M+Na-2H]- 427.15402 205.9
[M]+ 406.17880 196.4
[M]- 406.17990 196.4
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.