CID 43600356

1-[2-(piperazin-1-yl)ethyl]-3-(propan-2-yl)urea

Structural Information

Molecular Formula
C10H22N4O
SMILES
CC(C)NC(=O)NCCN1CCNCC1
InChI
InChI=1S/C10H22N4O/c1-9(2)13-10(15)12-5-8-14-6-3-11-4-7-14/h9,11H,3-8H2,1-2H3,(H2,12,13,15)
InChIKey
GBWHAGCINQEHIH-UHFFFAOYSA-N
Compound name
1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.17937 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.18665 153.5
[M+Na]+ 237.16859 155.1
[M-H]- 213.17209 151.5
[M+NH4]+ 232.21319 167.7
[M+K]+ 253.14253 153.4
[M+H-H2O]+ 197.17663 145.2
[M+HCOO]- 259.17757 169.8
[M+CH3COO]- 273.19322 189.7
[M+Na-2H]- 235.15404 156.0
[M]+ 214.17882 146.4
[M]- 214.17992 146.4
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.