CID 473694

(3e)-n,5-bis(4-chlorophenyl)-3-pentylimino-phenazin-2-amine

Structural Information

Molecular Formula
C29H26Cl2N4
SMILES
CCCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H26Cl2N4/c1-2-3-6-17-32-25-19-29-27(18-26(25)33-22-13-9-20(30)10-14-22)34-24-7-4-5-8-28(24)35(29)23-15-11-21(31)12-16-23/h4-5,7-16,18-19,33H,2-3,6,17H2,1H3
InChIKey
RIBYLWVWDDUTDQ-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-pentyliminophenazin-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 223.8
[M+Na]+ 523.14266 232.9
[M-H]- 499.14616 231.6
[M+NH4]+ 518.18726 231.0
[M+K]+ 539.11660 221.9
[M+H-H2O]+ 483.15070 210.3
[M+HCOO]- 545.15164 234.1
[M+CH3COO]- 559.16729 230.6
[M+Na-2H]- 521.12811 227.6
[M]+ 500.15289 229.2
[M]- 500.15399 229.2
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.