CID 209161

1-propanol, 3,3'-(phenylimino)di-, dicarbamate (ester)

Structural Information

Molecular Formula
C14H21N3O4
SMILES
C1=CC=C(C=C1)N(CCCOC(=O)N)CCCOC(=O)N
InChI
InChI=1S/C14H21N3O4/c15-13(18)20-10-4-8-17(9-5-11-21-14(16)19)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,15,18)(H2,16,19)
InChIKey
OQPPZPMITISRLR-UHFFFAOYSA-N
Compound name
3-[N-(3-carbamoyloxypropyl)anilino]propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.160476 169.2
[M+Na]+ 318.142418 171.8
[M-H]- 294.145924 172.2
[M+NH4]+ 313.187023 183.0
[M+K]+ 334.116358 171.5
[M+H-H2O]+ 278.150460 160.5
[M+HCOO]- 340.151401 193.7
[M+CH3COO]- 354.167051 210.7
[M+Na-2H]- 316.127866 170.5
[M]+ 295.15265142 170.6
[M]- 295.15374858 170.6
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.