CID 3056801

Pseudourea, 3-benzyl-2-phenyl-, hydrochloride

Structural Information

Molecular Formula
C14H14N2S
SMILES
C1=CC=C(C=C1)CN=C(N)SC2=CC=CC=C2
InChI
InChI=1S/C14H14N2S/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
InChIKey
ZNCYEAGUULJAON-UHFFFAOYSA-N
Compound name
phenyl N'-benzylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09505 153.4
[M+Na]+ 265.07699 159.4
[M-H]- 241.08049 160.6
[M+NH4]+ 260.12159 170.9
[M+K]+ 281.05093 154.6
[M+H-H2O]+ 225.08503 145.4
[M+HCOO]- 287.08597 174.7
[M+CH3COO]- 301.10162 196.1
[M+Na-2H]- 263.06244 157.7
[M]+ 242.08722 152.6
[M]- 242.08832 152.6
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.