CID 473693

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

Structural Information

Molecular Formula
C28H24Cl2N4
SMILES
CCC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H24Cl2N4/c1-3-18(2)31-25-17-28-26(16-24(25)32-21-12-8-19(29)9-13-21)33-23-6-4-5-7-27(23)34(28)22-14-10-20(30)11-15-22/h4-18,32H,3H2,1-2H3
InChIKey
GKFXETOVLVSVAQ-UHFFFAOYSA-N
Compound name
3-butan-2-ylimino-N,5-bis(4-chlorophenyl)phenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.13782 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14510 218.8
[M+Na]+ 509.12704 228.0
[M-H]- 485.13054 227.0
[M+NH4]+ 504.17164 226.6
[M+K]+ 525.10098 217.8
[M+H-H2O]+ 469.13508 205.9
[M+HCOO]- 531.13602 228.6
[M+CH3COO]- 545.15167 226.1
[M+Na-2H]- 507.11249 222.2
[M]+ 486.13727 223.6
[M]- 486.13837 223.6
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

No patent data available for this compound.