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

20
Patents

370.18927 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 190.9
[M+Na]+ 393.17849 194.3
[M-H]- 369.18199 196.8
[M+NH4]+ 388.22309 202.2
[M+K]+ 409.15243 191.3
[M+H-H2O]+ 353.18653 181.2
[M+HCOO]- 415.18747 214.2
[M+CH3COO]- 429.20312 221.1
[M+Na-2H]- 391.16394 192.3
[M]+ 370.18872 194.4
[M]- 370.18982 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