CID 30680

1-(3,4-dipropoxybenzyl)guanidine sulfate (2:1)

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CCCOC1=C(C=C(C=C1)CN=C(N)N)OCCC
InChI
InChI=1S/C14H23N3O2/c1-3-7-18-12-6-5-11(10-17-14(15)16)9-13(12)19-8-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H4,15,16,17)
InChIKey
NOXBDWKSAFGYMW-UHFFFAOYSA-N
Compound name
2-[(3,4-dipropoxyphenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.186296 164.0
[M+Na]+ 288.168238 168.9
[M-H]- 264.171744 167.6
[M+NH4]+ 283.212843 180.1
[M+K]+ 304.142178 166.9
[M+H-H2O]+ 248.176280 155.9
[M+HCOO]- 310.177221 189.8
[M+CH3COO]- 324.192871 208.5
[M+Na-2H]- 286.153686 166.1
[M]+ 265.17847142 165.4
[M]- 265.17956858 165.4
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.