CID 19553

4-butoxy-n,n-dipentyl-1-naphthamidine hydrochloride

Structural Information

Molecular Formula
C25H38N2O
SMILES
CCCCCN(CCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCC
InChI
InChI=1S/C25H38N2O/c1-4-7-12-18-27(19-13-8-5-2)25(26)23-16-17-24(28-20-9-6-3)22-15-11-10-14-21(22)23/h10-11,14-17,26H,4-9,12-13,18-20H2,1-3H3
InChIKey
JQFMMYIDNUEERU-UHFFFAOYSA-N
Compound name
4-butoxy-N,N-dipentylnaphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2984 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.30568 202.2
[M+Na]+ 405.28762 204.1
[M-H]- 381.29112 205.8
[M+NH4]+ 400.33222 215.0
[M+K]+ 421.26156 199.5
[M+H-H2O]+ 365.29566 192.7
[M+HCOO]- 427.29660 222.9
[M+CH3COO]- 441.31225 233.5
[M+Na-2H]- 403.27307 202.1
[M]+ 382.29785 206.9
[M]- 382.29895 206.9
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.