CID 3041265

Brn 0432566

Structural Information

Molecular Formula
C21H29N3S
SMILES
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=S)N)C(C)C
InChI
InChI=1S/C21H29N3S/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
InChIKey
KOOWBYWNRPTUJM-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.20822 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.21550 187.8
[M+Na]+ 378.19744 189.7
[M-H]- 354.20094 192.5
[M+NH4]+ 373.24204 198.9
[M+K]+ 394.17138 185.5
[M+H-H2O]+ 338.20548 178.4
[M+HCOO]- 400.20642 200.7
[M+CH3COO]- 414.22207 223.7
[M+Na-2H]- 376.18289 186.6
[M]+ 355.20767 187.8
[M]- 355.20877 187.8
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.