CID 3071123

1h-pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, 2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)hydrazide

Structural Information

Molecular Formula
C22H29N5O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NNCC(=O)N3CCN(CC3)C
InChI
InChI=1S/C22H29N5O3/c1-16-4-6-17(7-5-16)22(30)19-9-8-18(26(19)3)14-20(28)24-23-15-21(29)27-12-10-25(2)11-13-27/h4-9,23H,10-15H2,1-3H3,(H,24,28)
InChIKey
RNUOEJBMWCKBAJ-UHFFFAOYSA-N
Compound name
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]-N'-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.22705 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23433 200.6
[M+Na]+ 434.21627 203.2
[M-H]- 410.21977 205.9
[M+NH4]+ 429.26087 207.6
[M+K]+ 450.19021 199.0
[M+H-H2O]+ 394.22431 189.4
[M+HCOO]- 456.22525 216.3
[M+CH3COO]- 470.24090 231.0
[M+Na-2H]- 432.20172 196.8
[M]+ 411.22650 198.3
[M]- 411.22760 198.3
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.