CID 469566

Schembl548260

Structural Information

Molecular Formula
C20H24N4S
SMILES
CC(C)N=C(C1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)C(=NC(C)C)N)N
InChI
InChI=1S/C20H24N4S/c1-11(2)23-19(21)13-5-7-15-16-8-6-14(20(22)24-12(3)4)10-18(16)25-17(15)9-13/h5-12H,1-4H3,(H2,21,23)(H2,22,24)
InChIKey
RDAQDSMYXSAKHB-UHFFFAOYSA-N
Compound name
3-N',7-N'-di(propan-2-yl)dibenzothiophene-3,7-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

126
Patents

352.17218 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17946 185.4
[M+Na]+ 375.16140 191.3
[M-H]- 351.16490 192.3
[M+NH4]+ 370.20600 202.6
[M+K]+ 391.13534 187.0
[M+H-H2O]+ 335.16944 177.9
[M+HCOO]- 397.17038 204.6
[M+CH3COO]- 411.18603 230.3
[M+Na-2H]- 373.14685 185.0
[M]+ 352.17163 187.6
[M]- 352.17273 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe