CID 430095

Nsc268394

Structural Information

Molecular Formula
C32H40N4
SMILES
CC1CC(NCCNC(CC(NCCN1)C)C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C32H40N4/c1-23-19-31(29-13-11-25-7-3-5-9-27(25)21-29)35-17-18-36-32(20-24(2)34-16-15-33-23)30-14-12-26-8-4-6-10-28(26)22-30/h3-14,21-24,31-36H,15-20H2,1-2H3
InChIKey
RJXXRYZDGHULIV-UHFFFAOYSA-N
Compound name
5,14-dimethyl-7,12-dinaphthalen-2-yl-1,4,8,11-tetrazacyclotetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.3253 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.33258 218.7
[M+Na]+ 503.31452 220.0
[M-H]- 479.31802 215.9
[M+NH4]+ 498.35912 216.0
[M+K]+ 519.28846 208.5
[M+H-H2O]+ 463.32256 208.3
[M+HCOO]- 525.32350 219.2
[M+CH3COO]- 539.33915 219.1
[M+Na-2H]- 501.29997 216.6
[M]+ 480.32475 201.5
[M]- 480.32585 201.5
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.