CID 3065276

Imidazo(2,1-b)quinazolin-5(1h)-one, 3-(4-methylphenyl)-1-(2-naphthalenyl)-

Structural Information

Molecular Formula
C27H19N3O
SMILES
CC1=CC=C(C=C1)C2=CN(C3=NC4=CC=CC=C4C(=O)N23)C5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C27H19N3O/c1-18-10-12-20(13-11-18)25-17-29(22-15-14-19-6-2-3-7-21(19)16-22)27-28-24-9-5-4-8-23(24)26(31)30(25)27/h2-17H,1H3
InChIKey
QQSBVURDCWJHNS-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1-naphthalen-2-ylimidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1528 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16008 201.8
[M+Na]+ 424.14202 214.6
[M-H]- 400.14552 211.5
[M+NH4]+ 419.18662 212.8
[M+K]+ 440.11596 204.5
[M+H-H2O]+ 384.15006 188.7
[M+HCOO]- 446.15100 220.7
[M+CH3COO]- 460.16665 211.8
[M+Na-2H]- 422.12747 207.1
[M]+ 401.15225 205.7
[M]- 401.15335 205.7
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.