CID 16728613

Chembl240636

Structural Information

Molecular Formula
C16H14BrN5O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N)C#N
InChI
InChI=1S/C16H14BrN5O/c17-14-5-6-15(13(7-14)9-21-22-16(19)20)23-10-12-3-1-11(8-18)2-4-12/h1-7,9H,10H2,(H4,19,20,22)/b21-9+
InChIKey
FVGXMBDNWLAUPQ-ZVBGSRNCSA-N
Compound name
2-[(E)-[5-bromo-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.03818 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04546 180.2
[M+Na]+ 394.02740 190.3
[M-H]- 370.03090 186.9
[M+NH4]+ 389.07200 193.2
[M+K]+ 410.00134 177.1
[M+H-H2O]+ 354.03544 168.6
[M+HCOO]- 416.03638 203.2
[M+CH3COO]- 430.05203 231.7
[M+Na-2H]- 392.01285 183.2
[M]+ 371.03763 189.9
[M]- 371.03873 189.9
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.