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]+ 266.18630 164.0
[M+Na]+ 288.16824 168.9
[M-H]- 264.17174 167.6
[M+NH4]+ 283.21284 180.1
[M+K]+ 304.14218 166.9
[M+H-H2O]+ 248.17628 155.9
[M+HCOO]- 310.17722 189.8
[M+CH3COO]- 324.19287 208.5
[M+Na-2H]- 286.15369 166.1
[M]+ 265.17847 165.4
[M]- 265.17957 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.