CID 59839

Brn 5622279

Structural Information

Molecular Formula
C22H31N5O
SMILES
CC1=C(C(=C(C(=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)C)C)N)C
InChI
InChI=1S/C22H31N5O/c1-15-17(3)21(23)18(4)16(2)20(15)22(28)25-9-10-26-11-13-27(14-12-26)19-7-5-6-8-24-19/h5-8H,9-14,23H2,1-4H3,(H,25,28)
InChIKey
XCGBHKFYNWGXQJ-UHFFFAOYSA-N
Compound name
4-amino-2,3,5,6-tetramethyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.25287 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.26015 200.1
[M+Na]+ 404.24209 205.3
[M-H]- 380.24559 205.0
[M+NH4]+ 399.28669 207.2
[M+K]+ 420.21603 198.9
[M+H-H2O]+ 364.25013 188.3
[M+HCOO]- 426.25107 215.4
[M+CH3COO]- 440.26672 229.2
[M+Na-2H]- 402.22754 198.0
[M]+ 381.25232 196.7
[M]- 381.25342 196.7
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.