CID 16728642

Chembl240018

Structural Information

Molecular Formula
C16H16Cl2N4O
SMILES
C/C(=N/N=C(N)N)/C1=C(C=CC(=C1)Cl)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-10-
InChIKey
PBBMNRLZQDKFFX-FBHDLOMBSA-N
Compound name
2-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.07013 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07741 183.6
[M+Na]+ 373.05935 190.8
[M-H]- 349.06285 191.2
[M+NH4]+ 368.10395 197.7
[M+K]+ 389.03329 184.9
[M+H-H2O]+ 333.06739 176.2
[M+HCOO]- 395.06833 202.0
[M+CH3COO]- 409.08398 223.9
[M+Na-2H]- 371.04480 184.7
[M]+ 350.06958 186.0
[M]- 350.07068 186.0
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.