CID 44454

Guanidine, (2-hydroxy-3-(3-methyl-4-(1-methylethyl)phenoxy)propyl)-, sulfate (2:1) (salt), (+-)-

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CC1=C(C=CC(=C1)OCC(CN=C(N)N)O)C(C)C
InChI
InChI=1S/C14H23N3O2/c1-9(2)13-5-4-12(6-10(13)3)19-8-11(18)7-17-14(15)16/h4-6,9,11,18H,7-8H2,1-3H3,(H4,15,16,17)
InChIKey
SXWCYKHYXGAVSN-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.186296 166.0
[M+Na]+ 288.168238 169.9
[M-H]- 264.171744 168.3
[M+NH4]+ 283.212843 181.2
[M+K]+ 304.142178 168.3
[M+H-H2O]+ 248.176280 158.5
[M+HCOO]- 310.177221 188.2
[M+CH3COO]- 324.192871 208.0
[M+Na-2H]- 286.153686 165.0
[M]+ 265.17847142 164.3
[M]- 265.17956858 164.3
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.