CID 172909

Einecs 276-050-4

Structural Information

Molecular Formula
C34H30N4O7
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)NC(=O)OCCOCCOC(=O)NC3=CC=C(C=C3)CC4=CC=C(C=C4)N=C=O
InChI
InChI=1S/C34H30N4O7/c39-23-35-29-9-1-25(2-10-29)21-27-5-13-31(14-6-27)37-33(41)44-19-17-43-18-20-45-34(42)38-32-15-7-28(8-16-32)22-26-3-11-30(12-4-26)36-24-40/h1-16H,17-22H2,(H,37,41)(H,38,42)
InChIKey
ZHOZEBCEPVYWQJ-UHFFFAOYSA-N
Compound name
2-[2-[[4-[(4-isocyanatophenyl)methyl]phenyl]carbamoyloxy]ethoxy]ethyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.2114 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.21868 245.1
[M+Na]+ 629.20062 245.4
[M-H]- 605.20412 258.3
[M+NH4]+ 624.24522 245.3
[M+K]+ 645.17456 242.2
[M+H-H2O]+ 589.20866 229.6
[M+HCOO]- 651.20960 271.4
[M+CH3COO]- 665.22525 271.1
[M+Na-2H]- 627.18607 246.5
[M]+ 606.21085 250.9
[M]- 606.21195 250.9
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.