CID 63756

25480-90-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3
InChI
InChI=1S/C17H19N3O/c1-14-18-16-9-3-2-8-15(16)17(21)20(14)13-7-6-12-19-10-4-5-11-19/h2-3,8-9H,4-5,10-13H2,1H3
InChIKey
SESHUDSHOJDYDP-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 165.8
[M+Na]+ 304.14202 176.0
[M-H]- 280.14552 165.9
[M+NH4]+ 299.18662 178.3
[M+K]+ 320.11596 167.4
[M+H-H2O]+ 264.15006 149.6
[M+HCOO]- 326.15100 177.5
[M+CH3COO]- 340.16665 174.3
[M+Na-2H]- 302.12747 166.8
[M]+ 281.15225 159.2
[M]- 281.15335 159.2
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.