CID 9571323

Nsc642611

Structural Information

Molecular Formula
C14H20N10S2
SMILES
CC1=C(SC(=N1)C2=NC(=C(S2)/C(=N/N=C(N)N)/C)C)/C(=N/N=C(N)N)/C
InChI
InChI=1S/C14H20N10S2/c1-5-9(7(3)21-23-13(15)16)25-11(19-5)12-20-6(2)10(26-12)8(4)22-24-14(17)18/h1-4H3,(H4,15,16,23)(H4,17,18,24)/b21-7+,22-8+
InChIKey
YPZXJOGCEZNVNK-KVJLFNRQSA-N
Compound name
2-[(E)-1-[2-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.13138 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13866 189.2
[M+Na]+ 415.12060 195.1
[M-H]- 391.12410 197.9
[M+NH4]+ 410.16520 201.5
[M+K]+ 431.09454 191.2
[M+H-H2O]+ 375.12864 178.6
[M+HCOO]- 437.12958 209.7
[M+CH3COO]- 451.14523 244.8
[M+Na-2H]- 413.10605 187.1
[M]+ 392.13083 189.2
[M]- 392.13193 189.2
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.