CID 5519

Tpen

Structural Information

Molecular Formula
C26H28N6
SMILES
C1=CC=NC(=C1)CN(CCN(CC2=CC=CC=N2)CC3=CC=CC=N3)CC4=CC=CC=N4
InChI
InChI=1S/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2
InChIKey
CVRXLMUYFMERMJ-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

489
References

3327
Patents

424.23755 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.24483 202.3
[M+Na]+ 447.22677 204.2
[M-H]- 423.23027 209.8
[M+NH4]+ 442.27137 205.0
[M+K]+ 463.20071 197.2
[M+H-H2O]+ 407.23481 186.2
[M+HCOO]- 469.23575 221.9
[M+CH3COO]- 483.25140 208.6
[M+Na-2H]- 445.21222 209.7
[M]+ 424.23700 202.3
[M]- 424.23810 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe