CID 457553

Chembl3302984

Structural Information

Molecular Formula
C30H46N4
SMILES
CCCCN(CCCC)CC1=CC2=C(C=C1)N=C3C=CC(=CC3=N2)CN(CCCC)CCCC
InChI
InChI=1S/C30H46N4/c1-5-9-17-33(18-10-6-2)23-25-13-15-27-29(21-25)32-30-22-26(14-16-28(30)31-27)24-34(19-11-7-3)20-12-8-4/h13-16,21-22H,5-12,17-20,23-24H2,1-4H3
InChIKey
TUNSRTQUQLWKHR-UHFFFAOYSA-N
Compound name
N-butyl-N-[[8-[(dibutylamino)methyl]phenazin-2-yl]methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.37225 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.37953 226.2
[M+Na]+ 485.36147 229.0
[M-H]- 461.36497 229.0
[M+NH4]+ 480.40607 234.7
[M+K]+ 501.33541 222.6
[M+H-H2O]+ 445.36951 213.3
[M+HCOO]- 507.37045 244.4
[M+CH3COO]- 521.38610 253.2
[M+Na-2H]- 483.34692 227.5
[M]+ 462.37170 234.9
[M]- 462.37280 234.9
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.