CID 373695

Nsc650587

Structural Information

Molecular Formula
C15H16N4O2S2
SMILES
C1=CC=C(C=C1)N2C3=C(C(=NC=N3)N(CCO)CCO)SC2=S
InChI
InChI=1S/C15H16N4O2S2/c20-8-6-18(7-9-21)13-12-14(17-10-16-13)19(15(22)23-12)11-4-2-1-3-5-11/h1-5,10,20-21H,6-9H2
InChIKey
HLZOKJVKCICYJA-UHFFFAOYSA-N
Compound name
7-[bis(2-hydroxyethyl)amino]-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

348.07147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07875 173.3
[M+Na]+ 371.06069 183.9
[M-H]- 347.06419 176.5
[M+NH4]+ 366.10529 185.8
[M+K]+ 387.03463 176.7
[M+H-H2O]+ 331.06873 166.2
[M+HCOO]- 393.06967 184.5
[M+CH3COO]- 407.08532 183.6
[M+Na-2H]- 369.04614 175.5
[M]+ 348.07092 179.0
[M]- 348.07202 179.0
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.