CID 22890

Allyxycarb

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC1=CC(=CC(=C1N(CC=C)CC=C)C)OC(=O)NC
InChI
InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)
InChIKey
FBEHFRAORPEGFH-UHFFFAOYSA-N
Compound name
[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

9226
Patents

274.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 166.3
[M+Na]+ 297.15734 172.7
[M-H]- 273.16084 171.3
[M+NH4]+ 292.20194 183.2
[M+K]+ 313.13128 170.2
[M+H-H2O]+ 257.16538 159.1
[M+HCOO]- 319.16632 191.1
[M+CH3COO]- 333.18197 210.3
[M+Na-2H]- 295.14279 167.3
[M]+ 274.16757 169.7
[M]- 274.16867 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe