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]+ 239.150246 153.7
[M+Na]+ 261.132188 157.4
[M-H]- 237.135694 156.1
[M+NH4]+ 256.176793 169.3
[M+K]+ 277.106128 156.0
[M+H-H2O]+ 221.140230 145.8
[M+HCOO]- 283.141171 179.0
[M+CH3COO]- 297.156821 202.2
[M+Na-2H]- 259.117636 156.8
[M]+ 238.14242142 150.4
[M]- 238.14351858 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.