CID 473698

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

Structural Information

Molecular Formula
C36H40Cl2N4
SMILES
CCCCCCCCCCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C36H40Cl2N4/c1-2-3-4-5-6-7-8-9-10-13-24-39-32-26-36-34(25-33(32)40-29-20-16-27(37)17-21-29)41-31-14-11-12-15-35(31)42(36)30-22-18-28(38)19-23-30/h11-12,14-23,25-26,40H,2-10,13,24H2,1H3
InChIKey
AMDAUACZQZPQTG-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-dodecyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.263 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.27028 252.9
[M+Na]+ 621.25222 258.5
[M-H]- 597.25572 259.1
[M+NH4]+ 616.29682 255.9
[M+K]+ 637.22616 246.3
[M+H-H2O]+ 581.26026 237.6
[M+HCOO]- 643.26120 260.6
[M+CH3COO]- 657.27685 256.5
[M+Na-2H]- 619.23767 252.9
[M]+ 598.26245 260.1
[M]- 598.26355 260.1
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.