CID 16728617

Chembl240655

Structural Information

Molecular Formula
C15H14BrN5O3
SMILES
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=N/N=C(N)N)[N+](=O)[O-]
InChI
InChI=1S/C15H14BrN5O3/c16-12-5-6-14(11(7-12)8-19-20-15(17)18)24-9-10-3-1-2-4-13(10)21(22)23/h1-8H,9H2,(H4,17,18,20)/b19-8+
InChIKey
RMRUHZFGFPGUGH-UFWORHAWSA-N
Compound name
2-[(E)-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03528 178.2
[M+Na]+ 414.01722 184.8
[M-H]- 390.02072 188.0
[M+NH4]+ 409.06182 191.3
[M+K]+ 429.99116 169.0
[M+H-H2O]+ 374.02526 176.6
[M+HCOO]- 436.02620 204.7
[M+CH3COO]- 450.04185 221.0
[M+Na-2H]- 412.00267 184.5
[M]+ 391.02745 194.0
[M]- 391.02855 194.0
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.