CID 473696

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

Structural Information

Molecular Formula
C30H28Cl2N4
SMILES
CCCCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H28Cl2N4/c1-2-3-4-7-18-33-26-20-30-28(19-27(26)34-23-14-10-21(31)11-15-23)35-25-8-5-6-9-29(25)36(30)24-16-12-22(32)13-17-24/h5-6,8-17,19-20,34H,2-4,7,18H2,1H3
InChIKey
VRLYAQFNLIVABE-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-hexyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1691 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.17638 228.0
[M+Na]+ 537.15832 236.6
[M-H]- 513.16182 235.6
[M+NH4]+ 532.20292 234.7
[M+K]+ 553.13226 225.5
[M+H-H2O]+ 497.16636 214.2
[M+HCOO]- 559.16730 238.0
[M+CH3COO]- 573.18295 234.4
[M+Na-2H]- 535.14377 231.3
[M]+ 514.16855 233.7
[M]- 514.16965 233.7
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.