CID 16655051

Chembl2281960

Structural Information

Molecular Formula
C17H16BrN5O
SMILES
C/C(=N\N=C(N)N)/C1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H16BrN5O/c1-11(22-23-17(20)21)15-8-14(18)6-7-16(15)24-10-13-4-2-12(9-19)3-5-13/h2-8H,10H2,1H3,(H4,20,21,23)/b22-11+
InChIKey
OFPLYYXRAJKUOT-SSDVNMTOSA-N
Compound name
2-[(E)-1-[5-bromo-2-[(4-cyanophenyl)methoxy]phenyl]ethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.05383 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06111 186.1
[M+Na]+ 408.04305 195.5
[M-H]- 384.04655 192.7
[M+NH4]+ 403.08765 198.5
[M+K]+ 424.01699 182.6
[M+H-H2O]+ 368.05109 174.4
[M+HCOO]- 430.05203 208.0
[M+CH3COO]- 444.06768 234.9
[M+Na-2H]- 406.02850 187.5
[M]+ 385.05328 195.5
[M]- 385.05438 195.5
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.