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]+ 350.197526 188.7
[M+Na]+ 372.179468 195.8
[M-H]- 348.182974 191.7
[M+NH4]+ 367.224073 195.7
[M+K]+ 388.153408 187.2
[M+H-H2O]+ 332.187510 176.3
[M+HCOO]- 394.188451 201.3
[M+CH3COO]- 408.204101 196.0
[M+Na-2H]- 370.164916 191.5
[M]+ 349.18970142 182.8
[M]- 349.19079858 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.