CID 2143457

730-19-8

Structural Information

Molecular Formula
C14H23N3S
SMILES
CCN(CC)CCCNC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C14H23N3S/c1-3-17(4-2)12-8-11-15-14(18)16-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H2,15,16,18)
InChIKey
HYCYOGKGXROLTL-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.16125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16853 163.7
[M+Na]+ 288.15047 166.8
[M-H]- 264.15397 167.6
[M+NH4]+ 283.19507 180.3
[M+K]+ 304.12441 163.5
[M+H-H2O]+ 248.15851 155.5
[M+HCOO]- 310.15945 183.7
[M+CH3COO]- 324.17510 207.0
[M+Na-2H]- 286.13592 165.4
[M]+ 265.16070 164.9
[M]- 265.16180 164.9
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

patents stripe