CID 463902

N2',n8'-diisopropyldibenzothiophene-2,8-dicarboxamidine

Structural Information

Molecular Formula
C20H24N4S
SMILES
CC(C)N=C(C1=CC2=C(C=C1)SC3=C2C=C(C=C3)C(=NC(C)C)N)N
InChI
InChI=1S/C20H24N4S/c1-11(2)23-19(21)13-5-7-17-15(9-13)16-10-14(6-8-18(16)25-17)20(22)24-12(3)4/h5-12H,1-4H3,(H2,21,23)(H2,22,24)
InChIKey
AMOOSTZZHCXFCO-UHFFFAOYSA-N
Compound name
2-N',8-N'-di(propan-2-yl)dibenzothiophene-2,8-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.