CID 4059795

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

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OC2=CC=CC=C2)NC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C21H18N2O4/c1-15-12-13-16(22-20(24)26-17-8-4-2-5-9-17)14-19(15)23-21(25)27-18-10-6-3-7-11-18/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKey
HRHQJVCYJQPJQA-UHFFFAOYSA-N
Compound name
phenyl N-[2-methyl-5-(phenoxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

362.12665 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 184.9
[M+Na]+ 385.11587 189.4
[M-H]- 361.11937 194.3
[M+NH4]+ 380.16047 195.8
[M+K]+ 401.08981 186.0
[M+H-H2O]+ 345.12391 174.5
[M+HCOO]- 407.12485 209.3
[M+CH3COO]- 421.14050 217.3
[M+Na-2H]- 383.10132 188.9
[M]+ 362.12610 185.6
[M]- 362.12720 185.6
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