CID 15951194

915036-97-4

Structural Information

Molecular Formula
C19H20N4S
SMILES
CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)N=C(C4=CC=CS4)N
InChI
InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
InChIKey
LHMBGXCQBZFVCE-UHFFFAOYSA-N
Compound name
N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

336.14087 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14815 176.9
[M+Na]+ 359.13009 185.0
[M-H]- 335.13359 185.5
[M+NH4]+ 354.17469 192.5
[M+K]+ 375.10403 178.2
[M+H-H2O]+ 319.13813 168.8
[M+HCOO]- 381.13907 194.4
[M+CH3COO]- 395.15472 187.5
[M+Na-2H]- 357.11554 176.1
[M]+ 336.14032 175.9
[M]- 336.14142 175.9
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