CID 344461

7469-49-0

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCCC
InChI
InChI=1S/C17H26N2O4/c1-4-6-10-22-16(20)18-14-9-8-13(3)15(12-14)19-17(21)23-11-7-5-2/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKey
KOBZWUMLQLKNMP-UHFFFAOYSA-N
Compound name
butyl N-[3-(butoxycarbonylamino)-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

322.18927 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 179.3
[M+Na]+ 345.17849 187.3
[M+NH4]+ 340.22309 184.0
[M+K]+ 361.15243 182.1
[M-H]- 321.18199 179.9
[M+Na-2H]- 343.16394 182.0
[M]+ 322.18872 180.1
[M]- 322.18982 180.1
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