CID 105895

Einecs 267-491-3

Structural Information

Molecular Formula
C17H28N4O4
SMILES
CC1=C(C(=CC=C1)NC(=O)OCCN(C)C)NC(=O)OCCN(C)C
InChI
InChI=1S/C17H28N4O4/c1-13-7-6-8-14(18-16(22)24-11-9-20(2)3)15(13)19-17(23)25-12-10-21(4)5/h6-8H,9-12H2,1-5H3,(H,18,22)(H,19,23)
InChIKey
RNDDGZCAAFWPHS-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[2-[2-(dimethylamino)ethoxycarbonylamino]-3-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.21106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.21834 187.2
[M+Na]+ 375.20028 189.7
[M-H]- 351.20378 192.9
[M+NH4]+ 370.24488 200.2
[M+K]+ 391.17422 191.2
[M+H-H2O]+ 335.20832 177.8
[M+HCOO]- 397.20926 213.3
[M+CH3COO]- 411.22491 230.5
[M+Na-2H]- 373.18573 187.2
[M]+ 352.21051 192.8
[M]- 352.21161 192.8
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.