CID 207792

30798-93-7

Structural Information

Molecular Formula
C29H46N2O
SMILES
CCCCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(C(C)C)C(C)C
InChI
InChI=1S/C29H46N2O/c1-6-7-8-9-10-11-12-13-14-17-22-32-28-21-20-27(25-18-15-16-19-26(25)28)29(30)31(23(2)3)24(4)5/h15-16,18-21,23-24,30H,6-14,17,22H2,1-5H3
InChIKey
JUGAZBKICXRXHV-UHFFFAOYSA-N
Compound name
4-dodecoxy-N,N-di(propan-2-yl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.36102 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.36830 221.3
[M+Na]+ 461.35024 220.9
[M-H]- 437.35374 224.2
[M+NH4]+ 456.39484 231.6
[M+K]+ 477.32418 216.5
[M+H-H2O]+ 421.35828 211.4
[M+HCOO]- 483.35922 238.5
[M+CH3COO]- 497.37487 246.9
[M+Na-2H]- 459.33569 216.6
[M]+ 438.36047 226.1
[M]- 438.36157 226.1
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.