CID 9796325

198904-85-7

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC(C)(C)OC(=O)NNCC1=CC=C(C=C1)C2=CC=CC=N2
InChI
InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-11,19H,12H2,1-3H3,(H,20,21)
InChIKey
GIMJTKJSKPENNG-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-pyridin-2-ylphenyl)methylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

299.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 172.4
[M+Na]+ 322.15262 183.7
[M+NH4]+ 317.19722 178.9
[M+K]+ 338.12656 177.5
[M-H]- 298.15612 176.0
[M+Na-2H]- 320.13807 180.5
[M]+ 299.16285 174.9
[M]- 299.16395 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe