CID 276772

1-carbamimidamido-n-(2-methoxyphenyl)methanimidamide hydrochloride

Structural Information

Molecular Formula
C9H13N5O
SMILES
COC1=CC=CC=C1N=C(N)N=C(N)N
InChI
InChI=1S/C9H13N5O/c1-15-7-5-3-2-4-6(7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKey
QYLVXKQJMSWUHI-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2-methoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

207.11201 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.119286 144.8
[M+Na]+ 230.101228 149.9
[M-H]- 206.104734 150.0
[M+NH4]+ 225.145833 162.6
[M+K]+ 246.075168 149.3
[M+H-H2O]+ 190.109270 136.7
[M+HCOO]- 252.110211 174.1
[M+CH3COO]- 266.125861 201.3
[M+Na-2H]- 228.086676 149.1
[M]+ 207.11146142 140.5
[M]- 207.11255858 140.5
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

patents stripe