CID 3070826

86873-25-8

Structural Information

Molecular Formula
C15H18BrN5O2
SMILES
CN1CCN(CC1)CC(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O
InChI
InChI=1S/C15H18BrN5O2/c1-20-4-6-21(7-5-20)9-13(22)18-19-14-11-8-10(16)2-3-12(11)17-15(14)23/h2-3,8,17,23H,4-7,9H2,1H3
InChIKey
UKIFJDNPUCBFBU-UHFFFAOYSA-N
Compound name
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0644 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07168 177.1
[M+Na]+ 402.05362 186.9
[M-H]- 378.05712 183.4
[M+NH4]+ 397.09822 191.2
[M+K]+ 418.02756 174.5
[M+H-H2O]+ 362.06166 173.6
[M+HCOO]- 424.06260 194.4
[M+CH3COO]- 438.07825 216.4
[M+Na-2H]- 400.03907 181.3
[M]+ 379.06385 194.3
[M]- 379.06495 194.3
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.