CID 16728626

Chembl239998

Structural Information

Molecular Formula
C19H17BrN4O
SMILES
C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)Br)/C=N/N=C(N)N
InChI
InChI=1S/C19H17BrN4O/c20-16-8-9-18(15(10-16)11-23-24-19(21)22)25-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H4,21,22,24)/b23-11+
InChIKey
QLKXXQDSDZPRHD-FOKLQQMPSA-N
Compound name
2-[(E)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.05856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06584 183.8
[M+Na]+ 419.04778 191.8
[M-H]- 395.05128 194.3
[M+NH4]+ 414.09238 198.7
[M+K]+ 435.02172 178.9
[M+H-H2O]+ 379.05582 178.9
[M+HCOO]- 441.05676 208.1
[M+CH3COO]- 455.07241 229.2
[M+Na-2H]- 417.03323 189.9
[M]+ 396.05801 200.6
[M]- 396.05911 200.6
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.