CID 3042990

Brn 1003495

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=CS4)O
InChI
InChI=1S/C14H12N2OS/c17-14(12-6-3-9-18-12)11-5-2-1-4-10(11)13-15-7-8-16(13)14/h1-6,9,17H,7-8H2
InChIKey
QKNPGVNMGIVELF-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.06705 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 156.8
[M+Na]+ 279.05627 168.7
[M-H]- 255.05977 163.5
[M+NH4]+ 274.10087 181.0
[M+K]+ 295.03021 164.4
[M+H-H2O]+ 239.06431 151.9
[M+HCOO]- 301.06525 173.9
[M+CH3COO]- 315.08090 170.3
[M+Na-2H]- 277.04172 157.9
[M]+ 256.06650 160.0
[M]- 256.06760 160.0
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

patents stripe