CID 209162

1-propanol, 3,3'-(m-tolylimino)di-, dicarbamate (ester)

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC1=CC(=CC=C1)N(CCCOC(=O)N)CCCOC(=O)N
InChI
InChI=1S/C15H23N3O4/c1-12-5-2-6-13(11-12)18(7-3-9-21-14(16)19)8-4-10-22-15(17)20/h2,5-6,11H,3-4,7-10H2,1H3,(H2,16,19)(H2,17,20)
InChIKey
CSCPQWKHIOFSHH-UHFFFAOYSA-N
Compound name
3-[N-(3-carbamoyloxypropyl)-3-methylanilino]propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 174.0
[M+Na]+ 332.158068 177.1
[M-H]- 308.161574 177.2
[M+NH4]+ 327.202673 187.6
[M+K]+ 348.132008 176.7
[M+H-H2O]+ 292.166110 165.3
[M+HCOO]- 354.167051 198.1
[M+CH3COO]- 368.182701 214.9
[M+Na-2H]- 330.143516 174.0
[M]+ 309.16830142 176.2
[M]- 309.16939858 176.2
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.