CID 20879

Imidodicarbonimidic diamide, n-(2,4-dimethylphenyl)-

Structural Information

Molecular Formula
C10H15N5
SMILES
CC1=CC(=C(C=C1)N=C(N)N=C(N)N)C
InChI
InChI=1S/C10H15N5/c1-6-3-4-8(7(2)5-6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKey
NEOMBHNYODRTQG-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

23
Patents

205.13275 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.140026 147.6
[M+Na]+ 228.121968 153.4
[M-H]- 204.125474 153.0
[M+NH4]+ 223.166573 165.9
[M+K]+ 244.095908 152.0
[M+H-H2O]+ 188.130010 139.9
[M+HCOO]- 250.130951 176.3
[M+CH3COO]- 264.146601 203.3
[M+Na-2H]- 226.107416 150.5
[M]+ 205.13220142 142.7
[M]- 205.13329858 142.7
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