CID 704021

4-hydrazinyl-2-methyl-6-phenylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C13H12N4S
SMILES
CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NN
InChI
InChI=1S/C13H12N4S/c1-8-15-12(17-14)10-7-11(18-13(10)16-8)9-5-3-2-4-6-9/h2-7H,14H2,1H3,(H,15,16,17)
InChIKey
ZDAJGUKMOJNSHU-UHFFFAOYSA-N
Compound name
(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.085556 153.0
[M+Na]+ 279.067498 164.5
[M-H]- 255.071004 159.1
[M+NH4]+ 274.112103 170.6
[M+K]+ 295.041438 158.3
[M+H-H2O]+ 239.075540 145.4
[M+HCOO]- 301.076481 173.8
[M+CH3COO]- 315.092131 166.1
[M+Na-2H]- 277.052946 158.5
[M]+ 256.07773142 155.4
[M]- 256.07882858 155.4
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.