CID 27018

P-317

Structural Information

Molecular Formula
C18H28N4O
SMILES
CCN(CC)CCNCCOC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C18H28N4O/c1-4-21(5-2)13-11-19-12-14-23-18-15-16(3)20-22(18)17-9-7-6-8-10-17/h6-10,15,19H,4-5,11-14H2,1-3H3
InChIKey
ULFJNSTZAKKUBC-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.22632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.233596 178.3
[M+Na]+ 339.215538 183.1
[M-H]- 315.219044 183.1
[M+NH4]+ 334.260143 191.9
[M+K]+ 355.189478 180.0
[M+H-H2O]+ 299.223580 167.8
[M+HCOO]- 361.224521 202.2
[M+CH3COO]- 375.240171 216.7
[M+Na-2H]- 337.200986 180.6
[M]+ 316.22577142 182.6
[M]- 316.22686858 182.6
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.