CID 3003765

Usaf k-1360

Structural Information

Molecular Formula
C21H28N4S2
SMILES
CC1=C(C=C(C=C1)N2C(=CC(NC2=S)(C)C)C)N3C(=CC(NC3=S)(C)C)C
InChI
InChI=1S/C21H28N4S2/c1-13-8-9-16(24-14(2)11-20(4,5)22-18(24)26)10-17(13)25-15(3)12-21(6,7)23-19(25)27/h8-12H,1-7H3,(H,22,26)(H,23,27)
InChIKey
SZZSATMQRKDUGK-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-[4-methyl-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17554 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18282 195.0
[M+Na]+ 423.16476 208.5
[M+NH4]+ 418.20936 204.0
[M+K]+ 439.13870 193.8
[M-H]- 399.16826 198.5
[M+Na-2H]- 421.15021 202.5
[M]+ 400.17499 199.2
[M]- 400.17609 199.2
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.