CID 3034505

Usaf k-1354

Structural Information

Molecular Formula
C19H20N4S
SMILES
CC1=CC(NC(=S)N1C2=CC=C(C=C2)N=NC3=CC=CC=C3)(C)C
InChI
InChI=1S/C19H20N4S/c1-14-13-19(2,3)20-18(24)23(14)17-11-9-16(10-12-17)22-21-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,24)
InChIKey
QLDDJCCDCRGLHF-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-(4-phenyldiazenylphenyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.14087 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14815 178.8
[M+Na]+ 359.13009 187.1
[M-H]- 335.13359 187.2
[M+NH4]+ 354.17469 192.4
[M+K]+ 375.10403 180.1
[M+H-H2O]+ 319.13813 168.6
[M+HCOO]- 381.13907 196.3
[M+CH3COO]- 395.15472 189.2
[M+Na-2H]- 357.11554 182.2
[M]+ 336.14032 178.3
[M]- 336.14142 178.3
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.