CID 458605

N,n'-bis[(2,4,6-trimethylphenyl)methyl]methanediamine

Structural Information

Molecular Formula
C21H30N2
SMILES
CC1=CC(=C(C(=C1)C)CNCNCC2=C(C=C(C=C2C)C)C)C
InChI
InChI=1S/C21H30N2/c1-14-7-16(3)20(17(4)8-14)11-22-13-23-12-21-18(5)9-15(2)10-19(21)6/h7-10,22-23H,11-13H2,1-6H3
InChIKey
BYKCRBUSKCQQTF-UHFFFAOYSA-N
Compound name
N,N'-bis[(2,4,6-trimethylphenyl)methyl]methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2409 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 179.5
[M+Na]+ 333.23012 186.9
[M-H]- 309.23362 186.6
[M+NH4]+ 328.27472 195.0
[M+K]+ 349.20406 181.6
[M+H-H2O]+ 293.23816 171.3
[M+HCOO]- 355.23910 203.4
[M+CH3COO]- 369.25475 220.0
[M+Na-2H]- 331.21557 180.1
[M]+ 310.24035 182.0
[M]- 310.24145 182.0
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.