CID 3060503

78201-94-2

Structural Information

Molecular Formula
C21H34N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)CN2CCN(C(=O)C2=O)CCCCCCN
InChI
InChI=1S/C21H34N4O2/c1-3-23(4-2)19-11-9-18(10-12-19)17-25-16-15-24(20(26)21(25)27)14-8-6-5-7-13-22/h9-12H,3-8,13-17,22H2,1-2H3
InChIKey
IRNKVRIGNMQQFI-UHFFFAOYSA-N
Compound name
1-(6-aminohexyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2682 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.27548 196.2
[M+Na]+ 397.25742 199.2
[M-H]- 373.26092 199.5
[M+NH4]+ 392.30202 205.4
[M+K]+ 413.23136 194.9
[M+H-H2O]+ 357.26546 185.3
[M+HCOO]- 419.26640 213.9
[M+CH3COO]- 433.28205 229.4
[M+Na-2H]- 395.24287 194.1
[M]+ 374.26765 196.3
[M]- 374.26875 196.3
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.