CID 49841

Dl-1-(3-(n-ethylanilino)-2-hydroxypropyl)guanidine hemisulfate

Structural Information

Molecular Formula
C12H20N4O
SMILES
CCN(CC(CN=C(N)N)O)C1=CC=CC=C1
InChI
InChI=1S/C12H20N4O/c1-2-16(10-6-4-3-5-7-10)9-11(17)8-15-12(13)14/h3-7,11,17H,2,8-9H2,1H3,(H4,13,14,15)
InChIKey
JVPQAXOFTCBZDC-UHFFFAOYSA-N
Compound name
2-[3-(N-ethylanilino)-2-hydroxypropyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.16371 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17099 156.5
[M+Na]+ 259.15293 159.1
[M-H]- 235.15643 159.8
[M+NH4]+ 254.19753 172.6
[M+K]+ 275.12687 158.2
[M+H-H2O]+ 219.16097 148.3
[M+HCOO]- 281.16191 181.8
[M+CH3COO]- 295.17756 205.0
[M+Na-2H]- 257.13838 158.9
[M]+ 236.16316 153.0
[M]- 236.16426 153.0
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.