CID 16728640

Chembl391329

Structural Information

Molecular Formula
C15H16ClN5O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)N)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C15H16ClN5O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9,17H2,(H4,18,19,21)/b20-8+
InChIKey
XBMDVAOJYUQQFE-DNTJNYDQSA-N
Compound name
2-[(E)-[5-amino-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.10434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11162 174.5
[M+Na]+ 340.09356 181.2
[M-H]- 316.09706 182.5
[M+NH4]+ 335.13816 188.9
[M+K]+ 356.06750 176.2
[M+H-H2O]+ 300.10160 166.0
[M+HCOO]- 362.10254 199.7
[M+CH3COO]- 376.11819 220.9
[M+Na-2H]- 338.07901 177.7
[M]+ 317.10379 174.0
[M]- 317.10489 174.0
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.