CID 971434

Thiourea, n-(5-methyl-2-pyridinyl)-n'-(2-phenylethyl)-

Structural Information

Molecular Formula
C15H17N3S
SMILES
CC1=CN=C(C=C1)NC(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C15H17N3S/c1-12-7-8-14(17-11-12)18-15(19)16-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,16,17,18,19)
InChIKey
FTLVKPIQAUANGB-UHFFFAOYSA-N
Compound name
1-(5-methylpyridin-2-yl)-3-(2-phenylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

49
Patents

271.11432 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12160 161.2
[M+Na]+ 294.10354 167.3
[M-H]- 270.10704 166.3
[M+NH4]+ 289.14814 176.1
[M+K]+ 310.07748 161.5
[M+H-H2O]+ 254.11158 152.7
[M+HCOO]- 316.11252 180.1
[M+CH3COO]- 330.12817 200.9
[M+Na-2H]- 292.08899 165.2
[M]+ 271.11377 160.9
[M]- 271.11487 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe