CID 6447156

2-methyl-5-(2-(2-hydroxy-3-isopropylamino-propoxy)styryl)-1,3,4-thiadiazol [german]

Structural Information

Molecular Formula
C17H23N3O2S
SMILES
CC1=NN=C(S1)/C=C/C2=CC=CC=C2OCC(CNC(C)C)O
InChI
InChI=1S/C17H23N3O2S/c1-12(2)18-10-15(21)11-22-16-7-5-4-6-14(16)8-9-17-20-19-13(3)23-17/h4-9,12,15,18,21H,10-11H2,1-3H3/b9-8+
InChIKey
XUBVPMVLYTURGF-CMDGGOBGSA-N
Compound name
1-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

333.1511 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15838 179.6
[M+Na]+ 356.14032 185.3
[M-H]- 332.14382 182.3
[M+NH4]+ 351.18492 192.2
[M+K]+ 372.11426 180.3
[M+H-H2O]+ 316.14836 171.0
[M+HCOO]- 378.14930 194.2
[M+CH3COO]- 392.16495 208.8
[M+Na-2H]- 354.12577 177.4
[M]+ 333.15055 182.9
[M]- 333.15165 182.9
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