CID 473704

Schembl16306587

Structural Information

Molecular Formula
C26H21Cl2N5
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=NCCN)C=C3N2C4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H21Cl2N5/c27-17-5-9-19(10-6-17)31-23-15-24-26(16-22(23)30-14-13-29)33(20-11-7-18(28)8-12-20)25-4-2-1-3-21(25)32-24/h1-12,15-16,31H,13-14,29H2
InChIKey
UGDYEWKVKOZEAT-UHFFFAOYSA-N
Compound name
3-(2-aminoethylimino)-N,5-bis(4-chlorophenyl)phenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

473.1174 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.12468 213.2
[M+Na]+ 496.10662 223.0
[M-H]- 472.11012 221.2
[M+NH4]+ 491.15122 221.1
[M+K]+ 512.08056 212.5
[M+H-H2O]+ 456.11466 200.8
[M+HCOO]- 518.11560 225.2
[M+CH3COO]- 532.13125 220.8
[M+Na-2H]- 494.09207 218.7
[M]+ 473.11685 216.6
[M]- 473.11795 216.6
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

patents stripe