CID 3070827

86873-26-9

Structural Information

Molecular Formula
C15H17Cl2N5O2
SMILES
CN1CCN(CC1)CC(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O
InChI
InChI=1S/C15H17Cl2N5O2/c1-21-2-4-22(5-3-21)8-12(23)19-20-14-10-6-9(16)7-11(17)13(10)18-15(14)24/h6-7,18,24H,2-5,8H2,1H3
InChIKey
QYKQHUQKUXNTRV-UHFFFAOYSA-N
Compound name
N-[(5,7-dichloro-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

369.07593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08321 183.8
[M+Na]+ 392.06515 193.0
[M-H]- 368.06865 187.0
[M+NH4]+ 387.10975 195.9
[M+K]+ 408.03909 186.3
[M+H-H2O]+ 352.07319 175.0
[M+HCOO]- 414.07413 193.4
[M+CH3COO]- 428.08978 193.0
[M+Na-2H]- 390.05060 184.7
[M]+ 369.07538 185.9
[M]- 369.07648 185.9
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.