CID 3070813

Glycine, n,n-diethyl-, (5-bromo-1,2-dihydro-2-oxo-3h-indol-3-ylidene)hydrazide, (z)-

Structural Information

Molecular Formula
C14H17BrN4O2
SMILES
CCN(CC)CC(=O)N=NC1=C(NC2=C1C=C(C=C2)Br)O
InChI
InChI=1S/C14H17BrN4O2/c1-3-19(4-2)8-12(20)17-18-13-10-7-9(15)5-6-11(10)16-14(13)21/h5-7,16,21H,3-4,8H2,1-2H3
InChIKey
JTOURWSCTNKEQR-UHFFFAOYSA-N
Compound name
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0535 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06078 171.9
[M+Na]+ 375.04272 182.3
[M-H]- 351.04622 179.3
[M+NH4]+ 370.08732 190.1
[M+K]+ 391.01666 170.9
[M+H-H2O]+ 335.05076 168.7
[M+HCOO]- 397.05170 195.9
[M+CH3COO]- 411.06735 217.9
[M+Na-2H]- 373.02817 177.2
[M]+ 352.05295 193.8
[M]- 352.05405 193.8
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.