CID 103871

54061-05-1

Structural Information

Molecular Formula
C21H38N2
SMILES
CC1=C(C=C(C=C1)NC(C)CCC(C)C)NC(C)CCC(C)C
InChI
InChI=1S/C21H38N2/c1-15(2)8-11-18(6)22-20-13-10-17(5)21(14-20)23-19(7)12-9-16(3)4/h10,13-16,18-19,22-23H,8-9,11-12H2,1-7H3
InChIKey
ZJQSPHVCYCGKIQ-UHFFFAOYSA-N
Compound name
4-methyl-1-N,3-N-bis(5-methylhexan-2-yl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.3035 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.31078 188.4
[M+Na]+ 341.29272 189.7
[M-H]- 317.29622 190.5
[M+NH4]+ 336.33732 202.4
[M+K]+ 357.26666 187.0
[M+H-H2O]+ 301.30076 180.6
[M+HCOO]- 363.30170 206.8
[M+CH3COO]- 377.31735 223.1
[M+Na-2H]- 339.27817 184.1
[M]+ 318.30295 189.3
[M]- 318.30405 189.3
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.