CID 5437375

303104-08-7

Structural Information

Molecular Formula
C17H15BrN4O2
SMILES
CC1=CC=C(O1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H15BrN4O2/c1-10-3-8-16(24-10)14-9-15(21-20-14)17(23)22-19-11(2)12-4-6-13(18)7-5-12/h3-9H,1-2H3,(H,20,21)(H,22,23)/b19-11+
InChIKey
RTCMCXYJWZJXJO-YBFXNURJSA-N
Compound name
N-[(E)-1-(4-bromophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.03784 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04512 182.6
[M+Na]+ 409.02706 193.2
[M-H]- 385.03056 194.0
[M+NH4]+ 404.07166 196.9
[M+K]+ 425.00100 182.1
[M+H-H2O]+ 369.03510 179.5
[M+HCOO]- 431.03604 205.0
[M+CH3COO]- 445.05169 195.4
[M+Na-2H]- 407.01251 185.1
[M]+ 386.03729 203.0
[M]- 386.03839 203.0
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.