CID 53422234

Usfourjixlslpj-uhfffaoysa-n

Structural Information

Molecular Formula
C16H26N6O
SMILES
CCN1CCCC1CN=C(N)N=C(N)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H26N6O/c1-3-22-10-4-5-13(22)11-19-15(17)21-16(18)20-12-6-8-14(23-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3,(H5,17,18,19,20,21)
InChIKey
USFOURJIXLSLPJ-UHFFFAOYSA-N
Compound name
1-[amino-(4-methoxyanilino)methylidene]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.224076 175.4
[M+Na]+ 341.206018 177.5
[M-H]- 317.209524 181.9
[M+NH4]+ 336.250623 189.3
[M+K]+ 357.179958 175.5
[M+H-H2O]+ 301.214060 165.2
[M+HCOO]- 363.215001 201.2
[M+CH3COO]- 377.230651 222.4
[M+Na-2H]- 339.191466 175.9
[M]+ 318.21625142 171.2
[M]- 318.21734858 171.2
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.