CID 199617

4-butoxy-n,n-diheptyl-1-naphthamidine monohydrochloride

Structural Information

Molecular Formula
C29H46N2O
SMILES
CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCC
InChI
InChI=1S/C29H46N2O/c1-4-7-10-12-16-22-31(23-17-13-11-8-5-2)29(30)27-20-21-28(32-24-9-6-3)26-19-15-14-18-25(26)27/h14-15,18-21,30H,4-13,16-17,22-24H2,1-3H3
InChIKey
AHBLNBWPRXKJKV-UHFFFAOYSA-N
Compound name
4-butoxy-N,N-diheptylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.36102 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.36830 220.1
[M+Na]+ 461.35024 220.2
[M-H]- 437.35374 222.8
[M+NH4]+ 456.39484 230.6
[M+K]+ 477.32418 214.6
[M+H-H2O]+ 421.35828 209.8
[M+HCOO]- 483.35922 239.4
[M+CH3COO]- 497.37487 245.3
[M+Na-2H]- 459.33569 217.9
[M]+ 438.36047 226.1
[M]- 438.36157 226.1
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.