CID 477104

Amd-3329 free base

Structural Information

Molecular Formula
C34H50N8
SMILES
C1CNCCN(CCNCCC2=CC=CC1=N2)CC3=CC=C(C=C3)CN4CCNCCC5=NC(=CC=C5)CCNCC4
InChI
InChI=1S/C34H50N8/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42/h1-10,35-38H,11-28H2
InChIKey
LYOIMQOXLSAORE-UHFFFAOYSA-N
Compound name
7-[[4-(4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1384
References

1
Patents

570.41583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.42311 223.4
[M+Na]+ 593.40505 218.6
[M-H]- 569.40855 210.4
[M+NH4]+ 588.44965 209.5
[M+K]+ 609.37899 209.1
[M+H-H2O]+ 553.41309 212.7
[M+HCOO]- 615.41403 212.0
[M+CH3COO]- 629.42968 217.4
[M+Na-2H]- 591.39050 220.6
[M]+ 570.41528 199.5
[M]- 570.41638 199.5
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.