CID 473695

(3z)-n,5-bis(4-chlorophenyl)-3-(1-ethylpropylimino)phenazin-2-amine

Structural Information

Molecular Formula
C29H26Cl2N4
SMILES
CCC(CC)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H26Cl2N4/c1-3-21(4-2)32-26-18-29-27(17-25(26)33-22-13-9-19(30)10-14-22)34-24-7-5-6-8-28(24)35(29)23-15-11-20(31)12-16-23/h5-18,21,33H,3-4H2,1-2H3
InChIKey
QQVQUPCYXNNKIR-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-pentan-3-yliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.15344 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.16072 223.1
[M+Na]+ 523.14266 231.8
[M-H]- 499.14616 231.0
[M+NH4]+ 518.18726 230.3
[M+K]+ 539.11660 221.5
[M+H-H2O]+ 483.15070 209.9
[M+HCOO]- 545.15164 232.5
[M+CH3COO]- 559.16729 229.9
[M+Na-2H]- 521.12811 226.0
[M]+ 500.15289 228.1
[M]- 500.15399 228.1
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

No patent data available for this compound.