CID 9931976

Dl-017

Structural Information

Molecular Formula
C23H27N5OS
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3CN=C4N3C(=NC5=CC=CC=C54)SC
InChI
InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3
InChIKey
DVYBIZHLZSDANU-UHFFFAOYSA-N
Compound name
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

421.19363 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20091 203.1
[M+Na]+ 444.18285 210.8
[M-H]- 420.18635 207.1
[M+NH4]+ 439.22745 210.7
[M+K]+ 460.15679 202.8
[M+H-H2O]+ 404.19089 191.2
[M+HCOO]- 466.19183 209.2
[M+CH3COO]- 480.20748 209.7
[M+Na-2H]- 442.16830 201.2
[M]+ 421.19308 203.3
[M]- 421.19418 203.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe