CID 4614667

N,n'-bis-trityl-pentane-1,5-diamine

Structural Information

Molecular Formula
C43H42N2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCCCNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C43H42N2/c1-8-22-36(23-9-1)42(37-24-10-2-11-25-37,38-26-12-3-13-27-38)44-34-20-7-21-35-45-43(39-28-14-4-15-29-39,40-30-16-5-17-31-40)41-32-18-6-19-33-41/h1-6,8-19,22-33,44-45H,7,20-21,34-35H2
InChIKey
MUURRXCKVZPVOK-UHFFFAOYSA-N
Compound name
N,N'-ditritylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.3348 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.34208 260.4
[M+Na]+ 609.32402 277.7
[M+NH4]+ 604.36862 268.5
[M+K]+ 625.29796 262.7
[M-H]- 585.32752 274.9
[M+Na-2H]- 607.30947 277.7
[M]+ 586.33425 267.6
[M]- 586.33535 267.6
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.