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

823
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 189.4
[M+Na]+ 385.18865 197.9
[M-H]- 361.19215 199.1
[M+NH4]+ 380.23325 203.8
[M+K]+ 401.16259 192.6
[M+H-H2O]+ 345.19669 180.0
[M+HCOO]- 407.19763 216.8
[M+CH3COO]- 421.21328 230.7
[M+Na-2H]- 383.17410 190.0
[M]+ 362.19888 196.2
[M]- 362.19998 196.2
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