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]+ 215.186646 153.5
[M+Na]+ 237.168588 155.1
[M-H]- 213.172094 151.5
[M+NH4]+ 232.213193 167.7
[M+K]+ 253.142528 153.4
[M+H-H2O]+ 197.176630 145.2
[M+HCOO]- 259.177571 169.8
[M+CH3COO]- 273.193221 189.7
[M+Na-2H]- 235.154036 156.0
[M]+ 214.17882142 146.4
[M]- 214.17991858 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.