CID 366832

Nsc635604

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CC1=C2C(=CC=C1)C(C3=CC=CC=C3S2)NC(=O)CCN(C)C
InChI
InChI=1S/C19H22N2OS/c1-13-7-6-9-15-18(20-17(22)11-12-21(2)3)14-8-4-5-10-16(14)23-19(13)15/h4-10,18H,11-12H2,1-3H3,(H,20,22)
InChIKey
ALIQVRVVXGOJJS-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1453 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 174.1
[M+Na]+ 349.13452 179.9
[M-H]- 325.13802 179.9
[M+NH4]+ 344.17912 190.9
[M+K]+ 365.10846 175.6
[M+H-H2O]+ 309.14256 166.4
[M+HCOO]- 371.14350 190.0
[M+CH3COO]- 385.15915 218.5
[M+Na-2H]- 347.11997 177.4
[M]+ 326.14475 176.9
[M]- 326.14585 176.9
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.