CID 3025391

Perimidine, 4-acetyl-9-(2-(diethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCN(CC)CCN1C=NC2=C(C=CC3=C2C1=CC=C3)C(=O)C
InChI
InChI=1S/C19H23N3O/c1-4-21(5-2)11-12-22-13-20-19-16(14(3)23)10-9-15-7-6-8-17(22)18(15)19/h6-10,13H,4-5,11-12H2,1-3H3
InChIKey
HIMVRFIIEGEBPP-UHFFFAOYSA-N
Compound name
1-[1-[2-(diethylamino)ethyl]perimidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 177.1
[M+Na]+ 332.17332 183.6
[M-H]- 308.17682 179.6
[M+NH4]+ 327.21792 191.8
[M+K]+ 348.14726 179.5
[M+H-H2O]+ 292.18136 167.3
[M+HCOO]- 354.18230 194.5
[M+CH3COO]- 368.19795 217.0
[M+Na-2H]- 330.15877 182.0
[M]+ 309.18355 181.0
[M]- 309.18465 181.0
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.