CID 3080429

Brn 4337366

Structural Information

Molecular Formula
C21H24Cl2N4O3
SMILES
CN1CCN(CC1)CC(=O)NNC(=O)C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H24Cl2N4O3/c1-26-10-12-27(13-11-26)14-19(28)24-25-20(29)21(30,15-2-6-17(22)7-3-15)16-4-8-18(23)9-5-16/h2-9,30H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKey
QVALAIFSXILETJ-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.12256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.12984 202.7
[M+Na]+ 473.11178 206.2
[M-H]- 449.11528 206.8
[M+NH4]+ 468.15638 208.5
[M+K]+ 489.08572 199.8
[M+H-H2O]+ 433.11982 193.3
[M+HCOO]- 495.12076 207.6
[M+CH3COO]- 509.13641 229.0
[M+Na-2H]- 471.09723 203.3
[M]+ 450.12201 201.3
[M]- 450.12311 201.3
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.