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]+ 268.140426 159.9
[M+Na]+ 290.122368 162.0
[M-H]- 266.125874 161.1
[M+NH4]+ 285.166973 172.9
[M+K]+ 306.096308 161.4
[M+H-H2O]+ 250.130410 151.7
[M+HCOO]- 312.131351 183.0
[M+CH3COO]- 326.147001 208.5
[M+Na-2H]- 288.107816 160.4
[M]+ 267.13260142 153.3
[M]- 267.13369858 153.3
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.