CID 198129

33400-47-4

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CCOC(=O)NC1=C(N=C(C=C1)NC(CC2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C22H24N4O2/c1-2-28-22(27)25-18-13-14-20(26-21(18)23)24-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-14,19H,2,15H2,1H3,(H,25,27)(H3,23,24,26)
InChIKey
IAJUFTCIVJUAIV-UHFFFAOYSA-N
Compound name
ethyl N-[2-amino-6-(1,2-diphenylethylamino)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1899 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 193.6
[M+Na]+ 399.17912 205.6
[M+NH4]+ 394.22372 199.8
[M+K]+ 415.15306 198.1
[M-H]- 375.18262 200.4
[M+Na-2H]- 397.16457 203.1
[M]+ 376.18935 197.0
[M]- 376.19045 197.0
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.