CID 153573

Imidodicarbonimidic diamide, n-(2,3,5,6-tetramethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H19N5
SMILES
CC1=CC(=C(C(=C1C)N(C(=N)N)C(=N)N)C)C
InChI
InChI=1S/C12H19N5/c1-6-5-7(2)9(4)10(8(6)3)17(11(13)14)12(15)16/h5H,1-4H3,(H3,13,14)(H3,15,16)
InChIKey
RGCMVJKGNFQFIC-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(2,3,5,6-tetramethylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

195
Patents

233.16405 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.17133 158.5
[M+Na]+ 256.15327 164.5
[M-H]- 232.15677 163.5
[M+NH4]+ 251.19787 175.7
[M+K]+ 272.12721 162.9
[M+H-H2O]+ 216.16131 151.2
[M+HCOO]- 278.16225 184.5
[M+CH3COO]- 292.17790 211.8
[M+Na-2H]- 254.13872 157.9
[M]+ 233.16350 153.6
[M]- 233.16460 153.6
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.