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

827
Patents

362.19943 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 189.4
[M+Na]+ 385.188648 197.9
[M-H]- 361.192154 199.1
[M+NH4]+ 380.233253 203.8
[M+K]+ 401.162588 192.6
[M+H-H2O]+ 345.196690 180.0
[M+HCOO]- 407.197631 216.8
[M+CH3COO]- 421.213281 230.7
[M+Na-2H]- 383.174096 190.0
[M]+ 362.19888142 196.2
[M]- 362.19997858 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