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
2
Annotation Hits

0
References

30
Patents

312.14087 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.148146 173.6
[M+Na]+ 335.130088 181.7
[M-H]- 311.133594 183.2
[M+NH4]+ 330.174693 192.6
[M+K]+ 351.104028 177.8
[M+H-H2O]+ 295.138130 165.5
[M+HCOO]- 357.139071 197.1
[M+CH3COO]- 371.154721 186.0
[M+Na-2H]- 333.115536 174.4
[M]+ 312.14032142 178.4
[M]- 312.14141858 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