CID 35465

1-naphthamidine, n,n-diisopropyl-4-octyloxy-, monohydrochloride

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]+ 383.305676 203.0
[M+Na]+ 405.287618 204.4
[M-H]- 381.291124 206.8
[M+NH4]+ 400.332223 215.7
[M+K]+ 421.261558 200.9
[M+H-H2O]+ 365.295660 194.0
[M+HCOO]- 427.296601 221.7
[M+CH3COO]- 441.312251 235.3
[M+Na-2H]- 403.273066 200.6
[M]+ 382.29785142 206.5
[M]- 382.29894858 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.