CID 16728635

Chembl241057

Structural Information

Molecular Formula
C16H14ClN5O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)C#N)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C16H14ClN5O/c17-14-4-1-11(2-5-14)10-23-15-6-3-12(8-18)7-13(15)9-21-22-16(19)20/h1-7,9H,10H2,(H4,19,20,22)/b21-9+
InChIKey
VMXKYEDGYXPELZ-ZVBGSRNCSA-N
Compound name
2-[(E)-[2-[(4-chlorophenyl)methoxy]-5-cyanophenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.08868 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09596 184.5
[M+Na]+ 350.07790 193.5
[M-H]- 326.08140 190.9
[M+NH4]+ 345.12250 197.1
[M+K]+ 366.05184 187.4
[M+H-H2O]+ 310.08594 169.7
[M+HCOO]- 372.08688 204.6
[M+CH3COO]- 386.10253 228.5
[M+Na-2H]- 348.06335 186.3
[M]+ 327.08813 180.1
[M]- 327.08923 180.1
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.