CID 6478893

(e)-n-(5-{[2-(1h-imidazol-4-yl)ethyl]amino}-1,3,4-thiadiazol-2-yl)-3-phenyl-2-propenamide

Structural Information

Molecular Formula
C15H18N6OS
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)NCC/C(=C/N)/N
InChI
InChI=1S/C15H18N6OS/c16-10-12(17)8-9-18-14-20-21-15(23-14)19-13(22)7-6-11-4-2-1-3-5-11/h1-7,10H,8-9,16-17H2,(H,18,20)(H,19,21,22)/b7-6+,12-10-
InChIKey
FWLLHYXZIJJICB-PBDTWZTKSA-N
Compound name
(E)-N-[5-[[(Z)-3,4-diaminobut-3-enyl]amino]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12628 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13356 174.0
[M+Na]+ 353.11550 178.3
[M-H]- 329.11900 177.0
[M+NH4]+ 348.16010 185.4
[M+K]+ 369.08944 172.2
[M+H-H2O]+ 313.12354 164.3
[M+HCOO]- 375.12448 192.7
[M+CH3COO]- 389.14013 213.7
[M+Na-2H]- 351.10095 174.4
[M]+ 330.12573 171.0
[M]- 330.12683 171.0
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.