CID 63844

Brn 0848735

Structural Information

Molecular Formula
C20H23N5O
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CN4CCNCC4
InChI
InChI=1S/C20H23N5O/c1-14-4-2-3-5-18(14)25-19(13-24-10-8-22-9-11-24)23-17-7-6-15(21)12-16(17)20(25)26/h2-7,12,22H,8-11,13,21H2,1H3
InChIKey
RYGORGLPYZUCTK-UHFFFAOYSA-N
Compound name
6-amino-3-(2-methylphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.19025 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19753 188.7
[M+Na]+ 372.17947 195.8
[M-H]- 348.18297 191.7
[M+NH4]+ 367.22407 195.7
[M+K]+ 388.15341 187.2
[M+H-H2O]+ 332.18751 176.3
[M+HCOO]- 394.18845 201.3
[M+CH3COO]- 408.20410 196.0
[M+Na-2H]- 370.16492 191.5
[M]+ 349.18970 182.8
[M]- 349.19080 182.8
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.