CID 59735029

Tert-butyl n-{[3-amino-5-(trifluoromethyl)phenyl]methyl}carbamate

Structural Information

Molecular Formula
C13H17F3N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC(=CC(=C1)N)C(F)(F)F
InChI
InChI=1S/C13H17F3N2O2/c1-12(2,3)20-11(19)18-7-8-4-9(13(14,15)16)6-10(17)5-8/h4-6H,7,17H2,1-3H3,(H,18,19)
InChIKey
ITVMQUIBGJIBMO-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

290.1242 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13148 164.1
[M+Na]+ 313.11342 171.2
[M-H]- 289.11692 163.7
[M+NH4]+ 308.15802 179.4
[M+K]+ 329.08736 168.6
[M+H-H2O]+ 273.12146 155.6
[M+HCOO]- 335.12240 182.1
[M+CH3COO]- 349.13805 205.4
[M+Na-2H]- 311.09887 167.0
[M]+ 290.12365 160.2
[M]- 290.12475 160.2
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

patents stripe