CID 241024

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

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OC(C)C)NC(=O)OC(C)C
InChI
InChI=1S/C15H22N2O4/c1-9(2)20-14(18)16-12-7-6-11(5)13(8-12)17-15(19)21-10(3)4/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKey
SRHAONPLNDTLMO-UHFFFAOYSA-N
Compound name
propan-2-yl N-[2-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

294.15796 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.165236 170.6
[M+Na]+ 317.147178 175.0
[M-H]- 293.150684 174.1
[M+NH4]+ 312.191783 185.5
[M+K]+ 333.121118 175.0
[M+H-H2O]+ 277.155220 163.2
[M+HCOO]- 339.156161 192.5
[M+CH3COO]- 353.171811 209.3
[M+Na-2H]- 315.132626 169.9
[M]+ 294.15741142 173.4
[M]- 294.15850858 173.4
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