CID 3065991

4-(2,3-dihydroxypropoxy)phenylbiguanide

Structural Information

Molecular Formula
C11H17N5O3
SMILES
C1=CC(=CC=C1N(C(=N)N)C(=N)N)OCC(CO)O
InChI
InChI=1S/C11H17N5O3/c12-10(13)16(11(14)15)7-1-3-9(4-2-7)19-6-8(18)5-17/h1-4,8,17-18H,5-6H2,(H3,12,13)(H3,14,15)
InChIKey
XCRSSTRXHVFICA-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-[4-(2,3-dihydroxypropoxy)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13315 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 161.6
[M+Na]+ 290.12237 165.0
[M+NH4]+ 285.16697 165.1
[M+K]+ 306.09631 164.2
[M-H]- 266.12587 162.1
[M+Na-2H]- 288.10782 163.1
[M]+ 267.13260 161.2
[M]- 267.13370 161.2
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.