CID 20870

Benzamide, p-(3-amidinoguanidino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C10H14N6O
SMILES
CNC(=O)C1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C10H14N6O/c1-14-8(17)6-2-4-7(5-3-6)15-10(13)16-9(11)12/h2-5H,1H3,(H,14,17)(H6,11,12,13,15,16)
InChIKey
PNIQNFZYLLXPDY-UHFFFAOYSA-N
Compound name
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12291 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13019 152.5
[M+Na]+ 257.11213 156.5
[M-H]- 233.11563 157.6
[M+NH4]+ 252.15673 168.7
[M+K]+ 273.08607 155.9
[M+H-H2O]+ 217.12017 143.9
[M+HCOO]- 279.12111 181.5
[M+CH3COO]- 293.13676 209.3
[M+Na-2H]- 255.09758 155.3
[M]+ 234.12236 146.5
[M]- 234.12346 146.5
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.