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 183.0
[M+Na]+ 365.14065 195.9
[M-H]- 341.14415 188.1
[M+NH4]+ 360.18525 198.7
[M+K]+ 381.11459 189.4
[M+H-H2O]+ 325.14869 175.3
[M+HCOO]- 387.14963 196.2
[M+CH3COO]- 401.16528 194.2
[M+Na-2H]- 363.12610 180.4
[M]+ 342.15088 189.2
[M]- 342.15198 189.2
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.