CID 5402651

N'-(4-bromobenzylidene)-2-(1-methyl-1h-pyrrol-2-yl)acetohydrazide

Structural Information

Molecular Formula
C14H14BrN3O
SMILES
CN1C=CC=C1CC(=O)N/N=C\C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H14BrN3O/c1-18-8-2-3-13(18)9-14(19)17-16-10-11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,17,19)/b16-10-
InChIKey
MQYLGYVFWMEXJO-YBEGLDIGSA-N
Compound name
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.032 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03928 165.4
[M+Na]+ 342.02122 175.6
[M-H]- 318.02472 174.6
[M+NH4]+ 337.06582 183.9
[M+K]+ 357.99516 163.6
[M+H-H2O]+ 302.02926 162.5
[M+HCOO]- 364.03020 189.6
[M+CH3COO]- 378.04585 207.8
[M+Na-2H]- 340.00667 170.5
[M]+ 319.03145 184.6
[M]- 319.03255 184.6
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.