CID 9570124

Ciba 23889 ba

Structural Information

Molecular Formula
C11H17N9
SMILES
C/C(=N/N=C(N)N)/C1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C11H17N9/c1-6(19-20-10(14)15)7-2-4-8(5-3-7)17-11(16)18-9(12)13/h2-5H,1H3,(H4,14,15,20)(H6,12,13,16,17,18)/b19-6-
InChIKey
NCCQMUNUQDJCOJ-SWNXQHNESA-N
Compound name
1-(diaminomethylidene)-2-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.1607 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.16798 162.1
[M+Na]+ 298.14992 164.4
[M-H]- 274.15342 168.8
[M+NH4]+ 293.19452 176.2
[M+K]+ 314.12386 165.2
[M+H-H2O]+ 258.15796 151.7
[M+HCOO]- 320.15890 193.9
[M+CH3COO]- 334.17455 229.6
[M+Na-2H]- 296.13537 163.3
[M]+ 275.16015 153.4
[M]- 275.16125 153.4
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.