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]+ 310.191376 177.1
[M+Na]+ 332.173318 183.6
[M-H]- 308.176824 179.6
[M+NH4]+ 327.217923 191.8
[M+K]+ 348.147258 179.5
[M+H-H2O]+ 292.181360 167.3
[M+HCOO]- 354.182301 194.5
[M+CH3COO]- 368.197951 217.0
[M+Na-2H]- 330.158766 182.0
[M]+ 309.18355142 181.0
[M]- 309.18464858 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.