CID 473705

Chembl154105

Structural Information

Molecular Formula
C27H22Cl2N4O
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=NCCCO)C=C3N2C4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C27H22Cl2N4O/c28-18-6-10-20(11-7-18)31-24-16-25-27(17-23(24)30-14-3-15-34)33(21-12-8-19(29)9-13-21)26-5-2-1-4-22(26)32-25/h1-2,4-13,16-17,31,34H,3,14-15H2
InChIKey
OCLVPYBBICTOTA-UHFFFAOYSA-N
Compound name
3-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.11707 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.12435 216.0
[M+Na]+ 511.10629 225.4
[M-H]- 487.10979 223.2
[M+NH4]+ 506.15089 223.1
[M+K]+ 527.08023 215.1
[M+H-H2O]+ 471.11433 203.5
[M+HCOO]- 533.11527 226.0
[M+CH3COO]- 547.13092 223.2
[M+Na-2H]- 509.09174 221.0
[M]+ 488.11652 220.7
[M]- 488.11762 220.7
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.