CID 329034

N,n'-bis(allyloxycarbonyl)-4-methyl-1,3-phenylenediamine

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OCC=C)NC(=O)OCC=C
InChI
InChI=1S/C15H18N2O4/c1-4-8-20-14(18)16-12-7-6-11(3)13(10-12)17-15(19)21-9-5-2/h4-7,10H,1-2,8-9H2,3H3,(H,16,18)(H,17,19)
InChIKey
WLDJUSUENDADEQ-UHFFFAOYSA-N
Compound name
prop-2-enyl N-[2-methyl-5-(prop-2-enoxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.12665 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 167.3
[M+Na]+ 313.115868 172.8
[M-H]- 289.119374 170.6
[M+NH4]+ 308.160473 182.3
[M+K]+ 329.089808 170.3
[M+H-H2O]+ 273.123910 159.7
[M+HCOO]- 335.124851 191.5
[M+CH3COO]- 349.140501 205.8
[M+Na-2H]- 311.101316 169.1
[M]+ 290.12610142 169.9
[M]- 290.12719858 169.9
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

patents stripe