CID 63847

Hpt 864

Structural Information

Molecular Formula
C14H20ClN3O
SMILES
CCC1NC(=O)C2=C(N1CCN(C)C)C=C(C=C2)Cl
InChI
InChI=1S/C14H20ClN3O/c1-4-13-16-14(19)11-6-5-10(15)9-12(11)18(13)8-7-17(2)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,19)
InChIKey
WUUIWMRFKVYVLT-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(dimethylamino)ethyl]-2-ethyl-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1295 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13678 165.8
[M+Na]+ 304.11872 174.0
[M-H]- 280.12222 167.2
[M+NH4]+ 299.16332 181.3
[M+K]+ 320.09266 168.9
[M+H-H2O]+ 264.12676 158.4
[M+HCOO]- 326.12770 178.8
[M+CH3COO]- 340.14335 205.2
[M+Na-2H]- 302.10417 168.4
[M]+ 281.12895 167.4
[M]- 281.13005 167.4
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.