CID 368317

123623-03-0

Structural Information

Molecular Formula
C34H58N8
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCCN(CCCN)CCCN)CNCCCN(CCCN)CCCN
InChI
InChI=1S/C34H58N8/c35-15-5-21-41(22-6-16-36)25-9-19-39-27-33-29-11-1-2-12-30(29)34(32-14-4-3-13-31(32)33)28-40-20-10-26-42(23-7-17-37)24-8-18-38/h1-4,11-14,39-40H,5-10,15-28,35-38H2
InChIKey
BOEKXSBACLDMJQ-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)-N'-[3-[[10-[[3-[bis(3-aminopropyl)amino]propylamino]methyl]anthracen-9-yl]methylamino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.47845 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.48573 234.6
[M+Na]+ 601.46767 230.9
[M-H]- 577.47117 237.1
[M+NH4]+ 596.51227 238.2
[M+K]+ 617.44161 226.4
[M+H-H2O]+ 561.47571 222.1
[M+HCOO]- 623.47665 257.8
[M+CH3COO]- 637.49230 287.6
[M+Na-2H]- 599.45312 235.5
[M]+ 578.47790 236.3
[M]- 578.47900 236.3
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.