CID 66799

Bis(2,4-diamino-5-methylphenyl)methane

Structural Information

Molecular Formula
C15H20N4
SMILES
CC1=CC(=C(C=C1N)N)CC2=C(C=C(C(=C2)C)N)N
InChI
InChI=1S/C15H20N4/c1-8-3-10(14(18)6-12(8)16)5-11-4-9(2)13(17)7-15(11)19/h3-4,6-7H,5,16-19H2,1-2H3
InChIKey
HGVQBXSOAUVVNX-UHFFFAOYSA-N
Compound name
4-[(2,4-diamino-5-methylphenyl)methyl]-6-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

256.1688 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 163.0
[M+Na]+ 279.15802 171.6
[M-H]- 255.16152 169.2
[M+NH4]+ 274.20262 178.9
[M+K]+ 295.13196 166.4
[M+H-H2O]+ 239.16606 155.4
[M+HCOO]- 301.16700 188.4
[M+CH3COO]- 315.18265 210.5
[M+Na-2H]- 277.14347 163.2
[M]+ 256.16825 158.2
[M]- 256.16935 158.2
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