CID 9628143

314071-25-5

Structural Information

Molecular Formula
C16H16BrN3O
SMILES
CN1C=CC=C1CC(=O)N/N=C/C(=C/C2=CC=CC=C2)/Br
InChI
InChI=1S/C16H16BrN3O/c1-20-9-5-8-15(20)11-16(21)19-18-12-14(17)10-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,21)/b14-10-,18-12+
InChIKey
BDZOKGJYYRAXML-VVKOYFRTSA-N
Compound name
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.04767 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05495 174.4
[M+Na]+ 368.03689 182.9
[M-H]- 344.04039 183.1
[M+NH4]+ 363.08149 191.6
[M+K]+ 384.01083 170.4
[M+H-H2O]+ 328.04493 171.1
[M+HCOO]- 390.04587 197.2
[M+CH3COO]- 404.06152 211.7
[M+Na-2H]- 366.02234 178.0
[M]+ 345.04712 192.6
[M]- 345.04822 192.6
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.