CID 473674

(3z)-n,5-diphenyl-3-(3,5,5-trimethylhexylimino)phenazin-2-amine

Structural Information

Molecular Formula
C33H36N4
SMILES
CC(CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=CC=C4)C=C1NC5=CC=CC=C5)CC(C)(C)C
InChI
InChI=1S/C33H36N4/c1-24(23-33(2,3)4)19-20-34-28-22-32-30(21-29(28)35-25-13-7-5-8-14-25)36-27-17-11-12-18-31(27)37(32)26-15-9-6-10-16-26/h5-18,21-22,24,35H,19-20,23H2,1-4H3
InChIKey
HZCWRPSETQXBQM-UHFFFAOYSA-N
Compound name
N,5-diphenyl-3-(3,5,5-trimethylhexylimino)phenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.294 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.30128 227.6
[M+Na]+ 511.28322 231.9
[M-H]- 487.28672 235.8
[M+NH4]+ 506.32782 233.2
[M+K]+ 527.25716 223.0
[M+H-H2O]+ 471.29126 213.3
[M+HCOO]- 533.29220 243.5
[M+CH3COO]- 547.30785 233.3
[M+Na-2H]- 509.26867 232.2
[M]+ 488.29345 227.9
[M]- 488.29455 227.9
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.