CID 374357

Nsc652023

Structural Information

Molecular Formula
C16H18N4O2S2
SMILES
CC1=NC2=C(C(=N1)N(CCO)CCO)SC(=S)N2C3=CC=CC=C3
InChI
InChI=1S/C16H18N4O2S2/c1-11-17-14(19(7-9-21)8-10-22)13-15(18-11)20(16(23)24-13)12-5-3-2-4-6-12/h2-6,21-22H,7-10H2,1H3
InChIKey
BMDMTDOMLKOEJL-UHFFFAOYSA-N
Compound name
7-[bis(2-hydroxyethyl)amino]-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.08713 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09441 178.2
[M+Na]+ 385.07635 189.1
[M-H]- 361.07985 181.6
[M+NH4]+ 380.12095 190.3
[M+K]+ 401.05029 181.6
[M+H-H2O]+ 345.08439 171.1
[M+HCOO]- 407.08533 188.9
[M+CH3COO]- 421.10098 188.3
[M+Na-2H]- 383.06180 179.2
[M]+ 362.08658 184.6
[M]- 362.08768 184.6
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.