CID 35465

N,n-diisopropyl-4-octyloxy-1-naphthamidine hydrochloride

Structural Information

Molecular Formula
C25H38N2O
SMILES
CCCCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(C(C)C)C(C)C
InChI
InChI=1S/C25H38N2O/c1-6-7-8-9-10-13-18-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(19(2)3)20(4)5/h11-12,14-17,19-20,26H,6-10,13,18H2,1-5H3
InChIKey
CEJHFQVDAPKJMY-UHFFFAOYSA-N
Compound name
4-octoxy-N,N-di(propan-2-yl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2984 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.30568 203.0
[M+Na]+ 405.28762 204.4
[M-H]- 381.29112 206.8
[M+NH4]+ 400.33222 215.7
[M+K]+ 421.26156 200.9
[M+H-H2O]+ 365.29566 194.0
[M+HCOO]- 427.29660 221.7
[M+CH3COO]- 441.31225 235.3
[M+Na-2H]- 403.27307 200.6
[M]+ 382.29785 206.5
[M]- 382.29895 206.5
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.