CID 16728639

Chembl241468

Structural Information

Molecular Formula
C19H24ClN5O
SMILES
CCN(CC)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)/C=N/N=C(N)N
InChI
InChI=1S/C19H24ClN5O/c1-3-25(4-2)17-9-10-18(15(11-17)12-23-24-19(21)22)26-13-14-5-7-16(20)8-6-14/h5-12H,3-4,13H2,1-2H3,(H4,21,22,24)/b23-12+
InChIKey
YLKIUANKAYKVOD-FSJBWODESA-N
Compound name
2-[(E)-[2-[(4-chlorophenyl)methoxy]-5-(diethylamino)phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.16693 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17421 193.6
[M+Na]+ 396.15615 198.6
[M-H]- 372.15965 202.8
[M+NH4]+ 391.20075 206.6
[M+K]+ 412.13009 194.4
[M+H-H2O]+ 356.16419 184.0
[M+HCOO]- 418.16513 218.5
[M+CH3COO]- 432.18078 236.4
[M+Na-2H]- 394.14160 194.9
[M]+ 373.16638 196.7
[M]- 373.16748 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.