CID 3053009

69463-84-9

Structural Information

Molecular Formula
C17H21N5OS
SMILES
CCCCC1=NN=C(S1)N(CC(=O)C2=CC=CC=C2)C3=NCCN3
InChI
InChI=1S/C17H21N5OS/c1-2-3-9-15-20-21-17(24-15)22(16-18-10-11-19-16)12-14(23)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,18,19)
InChIKey
AHGQFMQHBKWZBL-UHFFFAOYSA-N
Compound name
2-[(5-butyl-1,3,4-thiadiazol-2-yl)-(4,5-dihydro-1H-imidazol-2-yl)amino]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15395 179.3
[M+Na]+ 366.13589 185.4
[M-H]- 342.13939 184.4
[M+NH4]+ 361.18049 190.8
[M+K]+ 382.10983 181.0
[M+H-H2O]+ 326.14393 169.3
[M+HCOO]- 388.14487 193.9
[M+CH3COO]- 402.16052 188.5
[M+Na-2H]- 364.12134 176.8
[M]+ 343.14612 181.0
[M]- 343.14722 181.0
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.