CID 49851

Dl-1-(2-hydroxy-3-(o-methoxyanilino)propyl)guanidine hemisulfate

Structural Information

Molecular Formula
C11H18N4O2
SMILES
COC1=CC=CC=C1NCC(CN=C(N)N)O
InChI
InChI=1S/C11H18N4O2/c1-17-10-5-3-2-4-9(10)14-6-8(16)7-15-11(12)13/h2-5,8,14,16H,6-7H2,1H3,(H4,12,13,15)
InChIKey
CZGSEZHIMRXFMJ-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(2-methoxyanilino)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 153.7
[M+Na]+ 261.13219 157.4
[M-H]- 237.13569 156.1
[M+NH4]+ 256.17679 169.3
[M+K]+ 277.10613 156.0
[M+H-H2O]+ 221.14023 145.8
[M+HCOO]- 283.14117 179.0
[M+CH3COO]- 297.15682 202.2
[M+Na-2H]- 259.11764 156.8
[M]+ 238.14242 150.4
[M]- 238.14352 150.4
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.