CID 6338186

19803-81-7

Structural Information

Molecular Formula
C12H16ClN5O
SMILES
C1COCCN1/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N
InChI
InChI=1S/C12H16ClN5O/c13-9-1-3-10(4-2-9)16-11(14)17-12(15)18-5-7-19-8-6-18/h1-4H,5-8H2,(H4,14,15,16,17)
InChIKey
OTPDTAPAJJSMQY-UHFFFAOYSA-N
Compound name
N'-[N'-(4-chlorophenyl)carbamimidoyl]morpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10434 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11162 167.3
[M+Na]+ 304.09356 171.3
[M-H]- 280.09706 174.0
[M+NH4]+ 299.13816 180.5
[M+K]+ 320.06750 168.8
[M+H-H2O]+ 264.10160 158.3
[M+HCOO]- 326.10254 185.7
[M+CH3COO]- 340.11819 208.2
[M+Na-2H]- 302.07901 170.8
[M]+ 281.10379 162.6
[M]- 281.10489 162.6
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.