CID 3008817

1-(6-methyl-2-pyridyl)-3-[(2r)-2-phenylpropyl]thiourea

Structural Information

Molecular Formula
C16H19N3S
SMILES
CC1=NC(=CC=C1)NC(=S)NC[C@H](C)C2=CC=CC=C2
InChI
InChI=1S/C16H19N3S/c1-12(14-8-4-3-5-9-14)11-17-16(20)19-15-10-6-7-13(2)18-15/h3-10,12H,11H2,1-2H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKey
KKRPHRYULRPPID-LBPRGKRZSA-N
Compound name
1-(6-methylpyridin-2-yl)-3-[(2R)-2-phenylpropyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.12997 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13725 166.2
[M+Na]+ 308.11919 171.4
[M-H]- 284.12269 171.1
[M+NH4]+ 303.16379 180.3
[M+K]+ 324.09313 165.9
[M+H-H2O]+ 268.12723 157.5
[M+HCOO]- 330.12817 183.6
[M+CH3COO]- 344.14382 204.8
[M+Na-2H]- 306.10464 168.5
[M]+ 285.12942 165.5
[M]- 285.13052 165.5
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

No patent data available for this compound.