CID 3034177

Usaf k-2601

Structural Information

Molecular Formula
C17H18N2O3S2
SMILES
CC1=CC(NC(=S)N1C2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)(C)C
InChI
InChI=1S/C17H18N2O3S2/c1-11-10-17(2,3)18-16(23)19(11)14-9-8-12-6-4-5-7-13(12)15(14)24(20,21)22/h4-10H,1-3H3,(H,18,23)(H,20,21,22)
InChIKey
KGKZFYGMRSMURX-UHFFFAOYSA-N
Compound name
2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0759 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08318 181.1
[M+Na]+ 385.06512 193.8
[M+NH4]+ 380.10972 189.1
[M+K]+ 401.03906 182.4
[M-H]- 361.06862 182.8
[M+Na-2H]- 383.05057 187.4
[M]+ 362.07535 184.5
[M]- 362.07645 184.5
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.