CID 3456352

60483-67-2

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CCCOC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OCCC
InChI
InChI=1S/C21H26N2O4/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
BHEHYAJMZZHYBM-UHFFFAOYSA-N
Compound name
propyl N-[4-[[4-(propoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

370.18927 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 190.9
[M+Na]+ 393.178488 194.3
[M-H]- 369.181994 196.8
[M+NH4]+ 388.223093 202.2
[M+K]+ 409.152428 191.3
[M+H-H2O]+ 353.186530 181.2
[M+HCOO]- 415.187471 214.2
[M+CH3COO]- 429.203121 221.1
[M+Na-2H]- 391.163936 192.3
[M]+ 370.18872142 194.4
[M]- 370.18981858 194.4
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