CID 3088605

Urea, n-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4h)-yl)ethyl)-n'-(1-methylethyl)-

Structural Information

Molecular Formula
C13H23N7OS
SMILES
CC(C)NC(=O)NCCN1CCC2=C(C1)SC(=N2)N=C(N)N
InChI
InChI=1S/C13H23N7OS/c1-8(2)17-12(21)16-4-6-20-5-3-9-10(7-20)22-13(18-9)19-11(14)15/h8H,3-7H2,1-2H3,(H2,16,17,21)(H4,14,15,18,19)
InChIKey
IMVWSNKQMHWFDU-UHFFFAOYSA-N
Compound name
1-[2-[2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethyl]-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1685 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17578 171.8
[M+Na]+ 348.15772 174.6
[M+NH4]+ 343.20232 176.6
[M+K]+ 364.13166 172.1
[M-H]- 324.16122 172.9
[M+Na-2H]- 346.14317 172.5
[M]+ 325.16795 172.0
[M]- 325.16905 172.0
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.