CID 456282

B782

Structural Information

Molecular Formula
C26H20Cl2N4O
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=NCCO)C=C3N2C4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H20Cl2N4O/c27-17-5-9-19(10-6-17)30-23-15-24-26(16-22(23)29-13-14-33)32(20-11-7-18(28)8-12-20)25-4-2-1-3-21(25)31-24/h1-12,15-16,30,33H,13-14H2
InChIKey
YEYXRUVVVYLWOZ-UHFFFAOYSA-N
Compound name
2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.1014 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.10868 211.8
[M+Na]+ 497.09062 221.7
[M-H]- 473.09412 219.1
[M+NH4]+ 492.13522 219.5
[M+K]+ 513.06456 211.5
[M+H-H2O]+ 457.09866 199.5
[M+HCOO]- 519.09960 222.1
[M+CH3COO]- 533.11525 219.4
[M+Na-2H]- 495.07607 217.3
[M]+ 474.10085 216.2
[M]- 474.10195 216.2
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

No patent data available for this compound.