CID 3051348

Dl-1-(3-(o-chloroanilino)-2-hydroxypropyl)guanidine hemisulfate

Structural Information

Molecular Formula
C10H15ClN4O
SMILES
C1=CC=C(C(=C1)NCC(CN=C(N)N)O)Cl
InChI
InChI=1S/C10H15ClN4O/c11-8-3-1-2-4-9(8)14-5-7(16)6-15-10(12)13/h1-4,7,14,16H,5-6H2,(H4,12,13,15)
InChIKey
YCKCNLRLSYJYLR-UHFFFAOYSA-N
Compound name
2-[3-(2-chloroanilino)-2-hydroxypropyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09344 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10072 154.6
[M+Na]+ 265.08266 159.6
[M-H]- 241.08616 157.0
[M+NH4]+ 260.12726 171.0
[M+K]+ 281.05660 155.7
[M+H-H2O]+ 225.09070 148.2
[M+HCOO]- 287.09164 175.5
[M+CH3COO]- 301.10729 200.6
[M+Na-2H]- 263.06811 157.4
[M]+ 242.09289 151.7
[M]- 242.09399 151.7
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.