CID 5272498

2-(benzylamino)-n-[4-[2-(dimethylamino)thiazol-4-yl]phenyl]acetamide

Structural Information

Molecular Formula
C20H22N4OS
SMILES
CN(C)C1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CNCC3=CC=CC=C3
InChI
InChI=1S/C20H22N4OS/c1-24(2)20-23-18(14-26-20)16-8-10-17(11-9-16)22-19(25)13-21-12-15-6-4-3-5-7-15/h3-11,14,21H,12-13H2,1-2H3,(H,22,25)
InChIKey
LOCWBXBKHUHZSS-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15143 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 186.1
[M+Na]+ 389.14065 191.1
[M-H]- 365.14415 195.9
[M+NH4]+ 384.18525 198.9
[M+K]+ 405.11459 186.2
[M+H-H2O]+ 349.14869 176.2
[M+HCOO]- 411.14963 207.2
[M+CH3COO]- 425.16528 223.7
[M+Na-2H]- 387.12610 187.3
[M]+ 366.15088 188.4
[M]- 366.15198 188.4
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.