CID 199138

3748-79-6

Structural Information

Molecular Formula
C33H54N2O
SMILES
CCCCCCCCN(CCCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCCCC
InChI
InChI=1S/C33H54N2O/c1-4-7-10-13-15-19-26-35(27-20-16-14-11-8-5-2)33(34)31-24-25-32(36-28-21-12-9-6-3)30-23-18-17-22-29(30)31/h17-18,22-25,34H,4-16,19-21,26-28H2,1-3H3
InChIKey
ARVISTIQLHNKPT-UHFFFAOYSA-N
Compound name
4-hexoxy-N,N-dioctylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.4236 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.43088 237.7
[M+Na]+ 517.41282 236.0
[M-H]- 493.41632 239.5
[M+NH4]+ 512.45742 245.7
[M+K]+ 533.38676 229.5
[M+H-H2O]+ 477.42086 226.5
[M+HCOO]- 539.42180 255.5
[M+CH3COO]- 553.43745 256.8
[M+Na-2H]- 515.39827 233.3
[M]+ 494.42305 245.0
[M]- 494.42415 245.0
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.