CID 3062338

97817-39-5

Structural Information

Molecular Formula
C11H18N6OS
SMILES
CC(C)NC(=O)N1CCC2=C(C1)SC(=N2)N=C(N)N
InChI
InChI=1S/C11H18N6OS/c1-6(2)14-11(18)17-4-3-7-8(5-17)19-10(15-7)16-9(12)13/h6H,3-5H2,1-2H3,(H,14,18)(H4,12,13,15,16)
InChIKey
LNVAHBMIMOJDRD-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)-N-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

282.12628 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13356 161.5
[M+Na]+ 305.11550 166.0
[M+NH4]+ 300.16010 167.2
[M+K]+ 321.08944 163.4
[M-H]- 281.11900 162.5
[M+Na-2H]- 303.10095 162.7
[M]+ 282.12573 162.0
[M]- 282.12683 162.0
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

patents stripe