CID 11955738

Chembl1823362

Structural Information

Molecular Formula
C17H20N4S
SMILES
CN(C)CCN1C=CC2=C1C=C(C=C2)N=C(C3=CC=CS3)N
InChI
InChI=1S/C17H20N4S/c1-20(2)9-10-21-8-7-13-5-6-14(12-15(13)21)19-17(18)16-4-3-11-22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,18,19)
InChIKey
COMLTLNNOUKOBL-UHFFFAOYSA-N
Compound name
N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

312.14087 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14815 173.6
[M+Na]+ 335.13009 181.7
[M-H]- 311.13359 183.2
[M+NH4]+ 330.17469 192.6
[M+K]+ 351.10403 177.8
[M+H-H2O]+ 295.13813 165.5
[M+HCOO]- 357.13907 197.1
[M+CH3COO]- 371.15472 186.0
[M+Na-2H]- 333.11554 174.4
[M]+ 312.14032 178.4
[M]- 312.14142 178.4
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