CID 3057101

73953-65-8

Structural Information

Molecular Formula
C13H18BrN3OS
SMILES
C1COCCN1CCNC(=S)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H18BrN3OS/c14-11-2-1-3-12(10-11)16-13(19)15-4-5-17-6-8-18-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19)
InChIKey
OODVVKPBMVNXMC-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-(2-morpholin-4-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04268 158.9
[M+Na]+ 366.02462 159.8
[M+NH4]+ 361.06922 163.2
[M+K]+ 381.99856 158.5
[M-H]- 342.02812 162.5
[M+Na-2H]- 364.01007 162.2
[M]+ 343.03485 159.1
[M]- 343.03595 159.1
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.