CID 160678

Einecs 221-841-1

Structural Information

Molecular Formula
C33H37N3
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=NC3CCCCC3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C
InChI
InChI=1S/C33H37N3/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h8-9,12-23,26H,5-7,10-11H2,1-4H3
InChIKey
VTURUNDHHRKAEF-UHFFFAOYSA-N
Compound name
4-[(4-cyclohexyliminonaphthalen-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

475.29874 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.30602 220.6
[M+Na]+ 498.28796 220.3
[M-H]- 474.29146 234.5
[M+NH4]+ 493.33256 228.4
[M+K]+ 514.26190 214.5
[M+H-H2O]+ 458.29600 206.7
[M+HCOO]- 520.29694 239.0
[M+CH3COO]- 534.31259 226.6
[M+Na-2H]- 496.27341 218.6
[M]+ 475.29819 214.8
[M]- 475.29929 214.8
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.