CID 44751

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

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CC(C)C)CC(C)C
InChI
InChI=1S/C21H30N2O/c1-6-24-20-12-11-19(17-9-7-8-10-18(17)20)21(22)23(13-15(2)3)14-16(4)5/h7-12,15-16,22H,6,13-14H2,1-5H3
InChIKey
FYLKUNYPLPIMPW-UHFFFAOYSA-N
Compound name
4-ethoxy-N,N-bis(2-methylpropyl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 184.4
[M+Na]+ 349.22502 187.6
[M-H]- 325.22852 189.1
[M+NH4]+ 344.26962 199.5
[M+K]+ 365.19896 185.1
[M+H-H2O]+ 309.23306 176.2
[M+HCOO]- 371.23400 204.6
[M+CH3COO]- 385.24965 223.5
[M+Na-2H]- 347.21047 184.2
[M]+ 326.23525 186.6
[M]- 326.23635 186.6
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.