CID 63754

4(3h)-quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H17N3O
SMILES
C1CCN(C1)CC#CCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H17N3O/c20-16-14-7-1-2-8-15(14)17-13-19(16)12-6-5-11-18-9-3-4-10-18/h1-2,7-8,13H,3-4,9-12H2
InChIKey
GMXPNIFLXULTRU-UHFFFAOYSA-N
Compound name
3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13718 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 161.6
[M+Na]+ 290.12640 171.4
[M-H]- 266.12990 161.4
[M+NH4]+ 285.17100 174.3
[M+K]+ 306.10034 162.9
[M+H-H2O]+ 250.13444 145.2
[M+HCOO]- 312.13538 173.5
[M+CH3COO]- 326.15103 170.1
[M+Na-2H]- 288.11185 163.7
[M]+ 267.13663 154.3
[M]- 267.13773 154.3
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.