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]+ 266.18630 166.0
[M+Na]+ 288.16824 169.9
[M-H]- 264.17174 168.3
[M+NH4]+ 283.21284 181.2
[M+K]+ 304.14218 168.3
[M+H-H2O]+ 248.17628 158.5
[M+HCOO]- 310.17722 188.2
[M+CH3COO]- 324.19287 208.0
[M+Na-2H]- 286.15369 165.0
[M]+ 265.17847 164.3
[M]- 265.17957 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.