CID 46602

T-1779

Structural Information

Molecular Formula
C16H28N3O2
SMILES
CC[N+](C)(CC)CCN(C)C1=CC=C(C=C1)OC(=O)NC
InChI
InChI=1S/C16H27N3O2/c1-6-19(5,7-2)13-12-18(4)14-8-10-15(11-9-14)21-16(20)17-3/h8-11H,6-7,12-13H2,1-5H3/p+1
InChIKey
YIMRDMNPQHYUJP-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[N-methyl-4-(methylcarbamoyloxy)anilino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21814 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22542 170.6
[M+Na]+ 317.20736 181.1
[M+NH4]+ 312.25196 178.3
[M+K]+ 333.18130 176.3
[M-H]- 293.21086 175.2
[M+Na-2H]- 315.19281 177.0
[M]+ 294.21759 173.6
[M]- 294.21869 173.6
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

No patent data available for this compound.