CID 44753

N,n-diisobutyl-4-methoxy-1-naphthamidine hydrochloride

Structural Information

Molecular Formula
C20H28N2O
SMILES
CC(C)CN(CC(C)C)C(=N)C1=CC=C(C2=CC=CC=C21)OC
InChI
InChI=1S/C20H28N2O/c1-14(2)12-22(13-15(3)4)20(21)18-10-11-19(23-5)17-9-7-6-8-16(17)18/h6-11,14-15,21H,12-13H2,1-5H3
InChIKey
KMZKJIZQULWGRZ-UHFFFAOYSA-N
Compound name
4-methoxy-N,N-bis(2-methylpropyl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 179.7
[M+Na]+ 335.20937 183.4
[M-H]- 311.21287 184.6
[M+NH4]+ 330.25397 195.4
[M+K]+ 351.18331 181.0
[M+H-H2O]+ 295.21741 171.7
[M+HCOO]- 357.21835 200.2
[M+CH3COO]- 371.23400 220.5
[M+Na-2H]- 333.19482 180.0
[M]+ 312.21960 181.5
[M]- 312.22070 181.5
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.