CID 479382

Chembl3249590

Structural Information

Molecular Formula
C34H54N4
SMILES
CCCCCN(CCCCC)CC1=CC2=C(C=C1)N=C3C=CC(=CC3=N2)CN(CCCCC)CCCCC
InChI
InChI=1S/C34H54N4/c1-5-9-13-21-37(22-14-10-6-2)27-29-17-19-31-33(25-29)36-34-26-30(18-20-32(34)35-31)28-38(23-15-11-7-3)24-16-12-8-4/h17-20,25-26H,5-16,21-24,27-28H2,1-4H3
InChIKey
DYEREWOQNYEXIB-UHFFFAOYSA-N
Compound name
N-[[8-[(dipentylamino)methyl]phenazin-2-yl]methyl]-N-pentylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

518.4349 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.44218 243.8
[M+Na]+ 541.42412 244.6
[M-H]- 517.42762 245.6
[M+NH4]+ 536.46872 249.8
[M+K]+ 557.39806 237.4
[M+H-H2O]+ 501.43216 229.9
[M+HCOO]- 563.43310 260.5
[M+CH3COO]- 577.44875 264.5
[M+Na-2H]- 539.40957 242.9
[M]+ 518.43435 253.6
[M]- 518.43545 253.6
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.