CID 3053017

69463-98-5

Structural Information

Molecular Formula
C18H23N5O2S
SMILES
CCCCC1=NN=C(S1)N(CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3
InChI
InChI=1S/C18H23N5O2S/c1-3-4-5-16-21-22-18(26-16)23(17-19-10-11-20-17)12-15(24)13-6-8-14(25-2)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,19,20)
InChIKey
IUVLZCHTIZWVDE-UHFFFAOYSA-N
Compound name
2-[(5-butyl-1,3,4-thiadiazol-2-yl)-(4,5-dihydro-1H-imidazol-2-yl)amino]-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15726 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16454 186.8
[M+Na]+ 396.14648 193.0
[M-H]- 372.14998 192.2
[M+NH4]+ 391.19108 197.3
[M+K]+ 412.12042 188.9
[M+H-H2O]+ 356.15452 176.9
[M+HCOO]- 418.15546 201.3
[M+CH3COO]- 432.17111 215.9
[M+Na-2H]- 394.13193 183.4
[M]+ 373.15671 190.6
[M]- 373.15781 190.6
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.