CID 10306

Methaphenilene

Structural Information

Molecular Formula
C15H20N2S
SMILES
CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3
InChIKey
LDYJXVUOVPVZKA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

271
Patents

260.1347 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 161.9
[M+Na]+ 283.12392 167.2
[M-H]- 259.12742 171.1
[M+NH4]+ 278.16852 181.5
[M+K]+ 299.09786 165.0
[M+H-H2O]+ 243.13196 153.7
[M+HCOO]- 305.13290 184.5
[M+CH3COO]- 319.14855 205.3
[M+Na-2H]- 281.10937 163.4
[M]+ 260.13415 165.7
[M]- 260.13525 165.7
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.