CID 145714460

2410284-89-6

Structural Information

Molecular Formula
C22H30N6O2
SMILES
CN(C1=CC=C(C=C1)N)C(=O)CN2CCN(CC2)CC(=O)N(C)C3=CC=C(C=C3)N
InChI
InChI=1S/C22H30N6O2/c1-25(19-7-3-17(23)4-8-19)21(29)15-27-11-13-28(14-12-27)16-22(30)26(2)20-9-5-18(24)6-10-20/h3-10H,11-16,23-24H2,1-2H3
InChIKey
RBOFHNBKFHHSEJ-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-amino-N-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-aminophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25028 200.2
[M+Na]+ 433.23222 201.0
[M-H]- 409.23572 207.8
[M+NH4]+ 428.27682 206.6
[M+K]+ 449.20616 198.6
[M+H-H2O]+ 393.24026 188.1
[M+HCOO]- 455.24120 218.9
[M+CH3COO]- 469.25685 240.8
[M+Na-2H]- 431.21767 198.7
[M]+ 410.24245 195.4
[M]- 410.24355 195.4
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.