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]+ 317.23360 178.3
[M+Na]+ 339.21554 183.1
[M-H]- 315.21904 183.1
[M+NH4]+ 334.26014 191.9
[M+K]+ 355.18948 180.0
[M+H-H2O]+ 299.22358 167.8
[M+HCOO]- 361.22452 202.2
[M+CH3COO]- 375.24017 216.7
[M+Na-2H]- 337.20099 180.6
[M]+ 316.22577 182.6
[M]- 316.22687 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.