CID 9682035

315224-63-6

Structural Information

Molecular Formula
C27H27N3
SMILES
C/C(=N\N1CCN(CC1)CC2=CC=CC3=CC=CC=C32)/C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C27H27N3/c1-21(25-15-7-11-23-9-3-5-14-27(23)25)28-30-18-16-29(17-19-30)20-24-12-6-10-22-8-2-4-13-26(22)24/h2-15H,16-20H2,1H3/b28-21+
InChIKey
HBXSSTCLTDYULX-SGWCAAJKSA-N
Compound name
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.2205 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22778 198.0
[M+Na]+ 416.20972 202.7
[M-H]- 392.21322 206.0
[M+NH4]+ 411.25432 207.4
[M+K]+ 432.18366 194.3
[M+H-H2O]+ 376.21776 184.2
[M+HCOO]- 438.21870 214.0
[M+CH3COO]- 452.23435 205.5
[M+Na-2H]- 414.19517 202.8
[M]+ 393.21995 194.4
[M]- 393.22105 194.4
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.