CID 3034979

Usaf k-1358

Structural Information

Molecular Formula
C26H30N4S2
SMILES
CC1=CC(NC(=S)N1C2=CC=C(C=C2)C3=CC=C(C=C3)N4C(=CC(NC4=S)(C)C)C)(C)C
InChI
InChI=1S/C26H30N4S2/c1-17-15-25(3,4)27-23(31)29(17)21-11-7-19(8-12-21)20-9-13-22(14-10-20)30-18(2)16-26(5,6)28-24(30)32/h7-16H,1-6H3,(H,27,31)(H,28,32)
InChIKey
HYVMLBNBBQAAGG-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-[4-[4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]phenyl]-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1912 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.19848 207.5
[M+Na]+ 485.18042 223.0
[M+NH4]+ 480.22502 216.8
[M+K]+ 501.15436 207.0
[M-H]- 461.18392 213.7
[M+Na-2H]- 483.16587 218.0
[M]+ 462.19065 212.9
[M]- 462.19175 212.9
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.