CID 211307

2-((diphenylamino)methyl)thiazolo(3,2-a)benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C22H17N3OS
SMILES
C1=CC=C(C=C1)N(CC2C(=O)N3C4=CC=CC=C4N=C3S2)C5=CC=CC=C5
InChI
InChI=1S/C22H17N3OS/c26-21-20(27-22-23-18-13-7-8-14-19(18)25(21)22)15-24(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2
InChIKey
ORBHFFFSDGICEJ-UHFFFAOYSA-N
Compound name
2-[(N-phenylanilino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.10922 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11650 186.2
[M+Na]+ 394.09844 196.3
[M-H]- 370.10194 197.7
[M+NH4]+ 389.14304 202.2
[M+K]+ 410.07238 190.1
[M+H-H2O]+ 354.10648 177.6
[M+HCOO]- 416.10742 205.1
[M+CH3COO]- 430.12307 197.7
[M+Na-2H]- 392.08389 187.8
[M]+ 371.10867 191.0
[M]- 371.10977 191.0
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.