CID 102073

Ay 9960

Structural Information

Molecular Formula
C30H34N2
SMILES
C1CC(CCC1CNCC2=CC3=CC=CC=C3C=C2)CNCC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C30H34N2/c1-3-7-29-17-25(13-15-27(29)5-1)21-31-19-23-9-11-24(12-10-23)20-32-22-26-14-16-28-6-2-4-8-30(28)18-26/h1-8,13-18,23-24,31-32H,9-12,19-22H2
InChIKey
MEEUGTHSGFSPKW-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylmethyl)-1-[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.2722 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.27948 201.9
[M+Na]+ 445.26142 204.1
[M-H]- 421.26492 210.5
[M+NH4]+ 440.30602 211.9
[M+K]+ 461.23536 195.2
[M+H-H2O]+ 405.26946 189.7
[M+HCOO]- 467.27040 220.0
[M+CH3COO]- 481.28605 208.7
[M+Na-2H]- 443.24687 206.6
[M]+ 422.27165 197.5
[M]- 422.27275 197.5
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.