CID 4608373

105442-35-1

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CCC1=CC(=CC(=C1N=C=O)CC)CC2=CC(=C(C(=C2)CC)N=C=O)CC
InChI
InChI=1S/C23H26N2O2/c1-5-18-10-16(11-19(6-2)22(18)24-14-26)9-17-12-20(7-3)23(25-15-27)21(8-4)13-17/h10-13H,5-9H2,1-4H3
InChIKey
OQDCXRFLJMVOCC-UHFFFAOYSA-N
Compound name
5-[(3,5-diethyl-4-isocyanatophenyl)methyl]-1,3-diethyl-2-isocyanatobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

761
Patents

362.19943 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 191.6
[M+Na]+ 385.18865 205.7
[M+NH4]+ 380.23325 198.1
[M+K]+ 401.16259 195.8
[M-H]- 361.19215 197.2
[M+Na-2H]- 383.17410 198.8
[M]+ 362.19888 195.2
[M]- 362.19998 195.2
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

patents stripe