CID 3053015

69463-90-7

Structural Information

Molecular Formula
C16H19N5O2S
SMILES
CC(C)C1=NN=C(S1)N(CC(=O)C2=CC=C(C=C2)O)C3=NCCN3
InChI
InChI=1S/C16H19N5O2S/c1-10(2)14-19-20-16(24-14)21(15-17-7-8-18-15)9-13(23)11-3-5-12(22)6-4-11/h3-6,10,22H,7-9H2,1-2H3,(H,17,18)
InChIKey
WLDYWLJFSIJWBL-UHFFFAOYSA-N
Compound name
2-[4,5-dihydro-1H-imidazol-2-yl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-1-(4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.12595 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13323 177.0
[M+Na]+ 368.11517 186.1
[M+NH4]+ 363.15977 182.2
[M+K]+ 384.08911 184.2
[M-H]- 344.11867 178.9
[M+Na-2H]- 366.10062 182.4
[M]+ 345.12540 178.8
[M]- 345.12650 178.8
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.