CID 24845006

89481-20-9

Structural Information

Molecular Formula
C18H22N4OS
SMILES
CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)CCN4CCCC4)C
InChI
InChI=1S/C18H22N4OS/c1-11-10-12(2)19-17-14(11)15-16(24-17)18(23)22(13(3)20-15)9-8-21-6-4-5-7-21/h10H,4-9H2,1-3H3
InChIKey
SKYYIQBSSDDXCW-UHFFFAOYSA-N
Compound name
4,11,13-trimethyl-5-(2-pyrrolidin-1-ylethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15143 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15871 182.3
[M+Na]+ 365.14065 196.9
[M+NH4]+ 360.18525 190.3
[M+K]+ 381.11459 190.5
[M-H]- 341.14415 185.2
[M+Na-2H]- 363.12610 186.4
[M]+ 342.15088 185.7
[M]- 342.15198 185.7
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.