CID 473691

Chembl422348

Structural Information

Molecular Formula
C27H22Cl2N4
SMILES
CCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C27H22Cl2N4/c1-2-15-30-23-17-27-25(16-24(23)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-14,16-17,31H,2,15H2,1H3
InChIKey
SGDAMFGCTDDEGK-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-propyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

472.12216 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12944 215.3
[M+Na]+ 495.11138 225.3
[M-H]- 471.11488 223.5
[M+NH4]+ 490.15598 223.7
[M+K]+ 511.08532 214.7
[M+H-H2O]+ 455.11942 202.2
[M+HCOO]- 517.12036 226.3
[M+CH3COO]- 531.13601 223.0
[M+Na-2H]- 493.09683 220.1
[M]+ 472.12161 220.1
[M]- 472.12271 220.1
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.