CID 209486

19950-80-2

Structural Information

Molecular Formula
C19H24N2S
SMILES
CCN(CC)CCNCC1=C2C(=CC=C1)C3=CC=CC=C3S2
InChI
InChI=1S/C19H24N2S/c1-3-21(4-2)13-12-20-14-15-8-7-10-17-16-9-5-6-11-18(16)22-19(15)17/h5-11,20H,3-4,12-14H2,1-2H3
InChIKey
ZLFAXBARULTLLA-UHFFFAOYSA-N
Compound name
N-(dibenzothiophen-4-ylmethyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16602 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17330 172.8
[M+Na]+ 335.15524 180.3
[M-H]- 311.15874 179.3
[M+NH4]+ 330.19984 192.5
[M+K]+ 351.12918 175.1
[M+H-H2O]+ 295.16328 165.6
[M+HCOO]- 357.16422 193.3
[M+CH3COO]- 371.17987 184.5
[M+Na-2H]- 333.14069 176.8
[M]+ 312.16547 179.1
[M]- 312.16657 179.1
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

No patent data available for this compound.