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]+ 296.16048 169.2
[M+Na]+ 318.14242 171.8
[M-H]- 294.14592 172.2
[M+NH4]+ 313.18702 183.0
[M+K]+ 334.11636 171.5
[M+H-H2O]+ 278.15046 160.5
[M+HCOO]- 340.15140 193.7
[M+CH3COO]- 354.16705 210.7
[M+Na-2H]- 316.12787 170.5
[M]+ 295.15265 170.6
[M]- 295.15375 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.