CID 9588026

Brn 0858826

Structural Information

Molecular Formula
C20H23BrN4O3
SMILES
COC1=C(C=C(C=C1Br)/C=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H23BrN4O3/c1-28-20-17(21)11-15(12-18(20)26)13-22-23-19(27)14-24-7-9-25(10-8-24)16-5-3-2-4-6-16/h2-6,11-13,26H,7-10,14H2,1H3,(H,23,27)/b22-13+
InChIKey
DPSGFXPVBPIFSI-LPYMAVHISA-N
Compound name
N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.09534 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.10262 195.0
[M+Na]+ 469.08456 201.1
[M-H]- 445.08806 203.1
[M+NH4]+ 464.12916 204.1
[M+K]+ 485.05850 188.6
[M+H-H2O]+ 429.09260 189.7
[M+HCOO]- 491.09354 211.1
[M+CH3COO]- 505.10919 228.6
[M+Na-2H]- 467.07001 197.6
[M]+ 446.09479 210.9
[M]- 446.09589 210.9
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.