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]+ 313.173296 172.8
[M+Na]+ 335.155238 180.3
[M-H]- 311.158744 179.3
[M+NH4]+ 330.199843 192.5
[M+K]+ 351.129178 175.1
[M+H-H2O]+ 295.163280 165.6
[M+HCOO]- 357.164221 193.3
[M+CH3COO]- 371.179871 184.5
[M+Na-2H]- 333.140686 176.8
[M]+ 312.16547142 179.1
[M]- 312.16656858 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.