CID 107107

68092-74-0

Structural Information

Molecular Formula
C24H26N4O7
SMILES
CC(COCC(C)OC(=O)NC1=CC=CC(=C1)CN=C=O)OC(=O)NC2=CC=CC(=C2)CN=C=O
InChI
InChI=1S/C24H26N4O7/c1-17(34-23(31)27-21-7-3-5-19(9-21)11-25-15-29)13-33-14-18(2)35-24(32)28-22-8-4-6-20(10-22)12-26-16-30/h3-10,17-18H,11-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKey
OIKLHRPYUMZODQ-UHFFFAOYSA-N
Compound name
1-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]propoxy]propan-2-yl N-[3-(isocyanatomethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.18015 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.18743 213.3
[M+Na]+ 505.16937 219.1
[M+NH4]+ 500.21397 214.5
[M+K]+ 521.14331 215.3
[M-H]- 481.17287 215.1
[M+Na-2H]- 503.15482 216.8
[M]+ 482.17960 213.7
[M]- 482.18070 213.7
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.