CID 3052

Diethylcarbamazine

Structural Information

Molecular Formula
C10H21N3O
SMILES
CCN(CC)C(=O)N1CCN(CC1)C
InChI
InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3
InChIKey
RCKMWOKWVGPNJF-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2396
References

10545
Patents

199.16846 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.17574 149.1
[M+Na]+ 222.15768 153.4
[M-H]- 198.16118 150.3
[M+NH4]+ 217.20228 166.0
[M+K]+ 238.13162 153.5
[M+H-H2O]+ 182.16572 141.1
[M+HCOO]- 244.16666 167.3
[M+CH3COO]- 258.18231 191.0
[M+Na-2H]- 220.14313 151.5
[M]+ 199.16791 146.9
[M]- 199.16901 146.9
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

patents stripe