CID 479379

Chembl3249587

Structural Information

Molecular Formula
C38H62N4
SMILES
CCCCCCN(CCCCCC)CC1=CC2=C(C=C1)N=C3C=CC(=CC3=N2)CN(CCCCCC)CCCCCC
InChI
InChI=1S/C38H62N4/c1-5-9-13-17-25-41(26-18-14-10-6-2)31-33-21-23-35-37(29-33)40-38-30-34(22-24-36(38)39-35)32-42(27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-30H,5-20,25-28,31-32H2,1-4H3
InChIKey
DXWFIGGWNXGTGL-UHFFFAOYSA-N
Compound name
N-[[8-[(dihexylamino)methyl]phenazin-2-yl]methyl]-N-hexylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.49744 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.50472 260.9
[M+Na]+ 597.48666 259.8
[M-H]- 573.49016 261.7
[M+NH4]+ 592.53126 264.4
[M+K]+ 613.46060 251.8
[M+H-H2O]+ 557.49470 246.2
[M+HCOO]- 619.49564 276.1
[M+CH3COO]- 633.51129 275.7
[M+Na-2H]- 595.47211 257.9
[M]+ 574.49689 271.9
[M]- 574.49799 271.9
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.