CID 2730282

N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide

Structural Information

Molecular Formula
C10H15N5O2
SMILES
COC1=CC(=CC(=C1)N=C(N)N=C(N)N)OC
InChI
InChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKey
VQKIGKHIRBCYNE-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

237.12257 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.129846 152.5
[M+Na]+ 260.111788 158.0
[M-H]- 236.115294 157.8
[M+NH4]+ 255.156393 169.3
[M+K]+ 276.085728 157.7
[M+H-H2O]+ 220.119830 144.1
[M+HCOO]- 282.120771 181.6
[M+CH3COO]- 296.136421 207.8
[M+Na-2H]- 258.097236 155.5
[M]+ 237.12202142 150.3
[M]- 237.12311858 150.3
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