CID 451510

124959-62-2

Structural Information

Molecular Formula
C20H20N4S
SMILES
CN(C)CCNC1=NC2=CC=CC=C2C(=N1)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C20H20N4S/c1-24(2)12-11-21-20-22-16-9-5-4-8-15(16)19(23-20)18-13-14-7-3-6-10-17(14)25-18/h3-10,13H,11-12H2,1-2H3,(H,21,22,23)
InChIKey
HYSZURUKXLLNHD-UHFFFAOYSA-N
Compound name
N-[4-(1-benzothiophen-2-yl)quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.14087 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14815 179.3
[M+Na]+ 371.13009 188.9
[M-H]- 347.13359 187.1
[M+NH4]+ 366.17469 194.6
[M+K]+ 387.10403 182.5
[M+H-H2O]+ 331.13813 170.2
[M+HCOO]- 393.13907 198.5
[M+CH3COO]- 407.15472 190.6
[M+Na-2H]- 369.11554 184.8
[M]+ 348.14032 184.9
[M]- 348.14142 184.9
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

patents stripe