CID 135467339

610278-85-8

Structural Information

Molecular Formula
C11H10N4OS
SMILES
C1C(=C(C(=N)N1N)C2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C11H10N4OS/c12-10-9(7(16)5-15(10)13)11-14-6-3-1-2-4-8(6)17-11/h1-4,12,16H,5,13H2
InChIKey
ZAQRLKZCTCBYPC-UHFFFAOYSA-N
Compound name
1-amino-4-(1,3-benzothiazol-2-yl)-5-imino-2H-pyrrol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05753 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06481 150.4
[M+Na]+ 269.04675 162.1
[M-H]- 245.05025 155.8
[M+NH4]+ 264.09135 169.6
[M+K]+ 285.02069 156.5
[M+H-H2O]+ 229.05479 144.3
[M+HCOO]- 291.05573 170.1
[M+CH3COO]- 305.07138 163.5
[M+Na-2H]- 267.03220 152.2
[M]+ 246.05698 151.1
[M]- 246.05808 151.1
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.