CID 73007

42362-20-9

Structural Information

Molecular Formula
C10H10N6OS
SMILES
COC1=NC2=C(C=C1)NC3=NC(=NC(=C3S2)N)N
InChI
InChI=1S/C10H10N6OS/c1-17-5-3-2-4-9(14-5)18-6-7(11)15-10(12)16-8(6)13-4/h2-3H,1H3,(H5,11,12,13,15,16)
InChIKey
LHABWFJUCMQSEM-UHFFFAOYSA-N
Compound name
12-methoxy-9-thia-2,4,6,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene-5,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.0637 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07098 153.9
[M+Na]+ 285.05292 164.9
[M-H]- 261.05642 152.5
[M+NH4]+ 280.09752 166.8
[M+K]+ 301.02686 158.3
[M+H-H2O]+ 245.06096 146.2
[M+HCOO]- 307.06190 165.7
[M+CH3COO]- 321.07755 164.1
[M+Na-2H]- 283.03837 160.8
[M]+ 262.06315 153.0
[M]- 262.06425 153.0
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

patents stripe