CID 1297329

Brn 4337311

Structural Information

Molecular Formula
C23H30N4O3
SMILES
CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)(C(=O)NNC(=O)CN3CCN(CC3)C)O
InChI
InChI=1S/C23H30N4O3/c1-17-6-4-8-19(14-17)23(30,20-9-5-7-18(2)15-20)22(29)25-24-21(28)16-27-12-10-26(3)11-13-27/h4-9,14-15,30H,10-13,16H2,1-3H3,(H,24,28)(H,25,29)
InChIKey
BKFLTGUFULXNEH-UHFFFAOYSA-N
Compound name
2-hydroxy-2,2-bis(3-methylphenyl)-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

410.23178 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23906 200.8
[M+Na]+ 433.22100 202.3
[M-H]- 409.22450 205.3
[M+NH4]+ 428.26560 206.5
[M+K]+ 449.19494 197.8
[M+H-H2O]+ 393.22904 189.9
[M+HCOO]- 455.22998 214.3
[M+CH3COO]- 469.24563 227.6
[M+Na-2H]- 431.20645 201.4
[M]+ 410.23123 195.9
[M]- 410.23233 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.