CID 456281

N,5-bis(4-chlorophenyl)-3,5-dihydro-3-(methylimino)-2-phenazinamine

Structural Information

Molecular Formula
C25H18Cl2N4
SMILES
CN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H18Cl2N4/c1-28-21-15-25-23(14-22(21)29-18-10-6-16(26)7-11-18)30-20-4-2-3-5-24(20)31(25)19-12-8-17(27)9-13-19/h2-15,29H,1H3
InChIKey
SZMLZUQMLNTOTC-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-methyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

444.09085 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.09813 206.6
[M+Na]+ 467.08007 217.7
[M-H]- 443.08357 215.3
[M+NH4]+ 462.12467 216.3
[M+K]+ 483.05401 207.4
[M+H-H2O]+ 427.08811 194.1
[M+HCOO]- 489.08905 218.5
[M+CH3COO]- 503.10470 215.3
[M+Na-2H]- 465.06552 212.6
[M]+ 444.09030 211.0
[M]- 444.09140 211.0
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

patents stripe