CID 114771

928621-15-2

Structural Information

Molecular Formula
C13H12Cl3N7O
SMILES
C1=CC(=C(C=C1CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)Cl)Cl
InChI
InChI=1S/C13H12Cl3N7O/c14-6-2-1-5(3-7(6)15)4-20-13(19)23-12(24)8-10(17)22-11(18)9(16)21-8/h1-3H,4H2,(H4,17,18,22)(H3,19,20,23,24)
InChIKey
OSHKWEFWXCCNJR-UHFFFAOYSA-N
Compound name
3,5-diamino-6-chloro-N-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

94
References

173
Patents

387.01688 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.02416 188.9
[M+Na]+ 410.00610 197.6
[M-H]- 386.00960 192.1
[M+NH4]+ 405.05070 198.4
[M+K]+ 425.98004 191.2
[M+H-H2O]+ 370.01414 181.6
[M+HCOO]- 432.01508 199.3
[M+CH3COO]- 446.03073 229.2
[M+Na-2H]- 407.99155 188.6
[M]+ 387.01633 188.8
[M]- 387.01743 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe