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]+ 291.13393 167.3
[M+Na]+ 313.11587 172.8
[M-H]- 289.11937 170.6
[M+NH4]+ 308.16047 182.3
[M+K]+ 329.08981 170.3
[M+H-H2O]+ 273.12391 159.7
[M+HCOO]- 335.12485 191.5
[M+CH3COO]- 349.14050 205.8
[M+Na-2H]- 311.10132 169.1
[M]+ 290.12610 169.9
[M]- 290.12720 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