CID 608871

74663-77-7

Structural Information

Molecular Formula
C28H40N2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C(=NC2=C(C=CC=C2C(C)C)C(C)C)C
InChI
InChI=1S/C28H40N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,1-10H3
InChIKey
YUFQUBWPYIPRHZ-UHFFFAOYSA-N
Compound name
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

734
Patents

404.31915 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32643 206.9
[M+Na]+ 427.30837 209.4
[M-H]- 403.31187 215.3
[M+NH4]+ 422.35297 218.8
[M+K]+ 443.28231 206.3
[M+H-H2O]+ 387.31641 197.7
[M+HCOO]- 449.31735 225.9
[M+CH3COO]- 463.33300 245.5
[M+Na-2H]- 425.29382 199.4
[M]+ 404.31860 209.7
[M]- 404.31970 209.7
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