CID 4614667

N1,n5-ditritylpentane-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 242.2
[M+Na]+ 609.32402 239.4
[M-H]- 585.32752 255.1
[M+NH4]+ 604.36862 240.9
[M+K]+ 625.29796 229.2
[M+H-H2O]+ 569.33206 226.5
[M+HCOO]- 631.33300 258.3
[M+CH3COO]- 645.34865 244.6
[M+Na-2H]- 607.30947 247.1
[M]+ 586.33425 236.2
[M]- 586.33535 236.2
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.