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)-3-pyridinyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

376.1899 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.197176 190.5
[M+Na]+ 399.179118 193.6
[M-H]- 375.182624 197.7
[M+NH4]+ 394.223723 198.9
[M+K]+ 415.153058 188.6
[M+H-H2O]+ 359.187160 179.1
[M+HCOO]- 421.188101 213.1
[M+CH3COO]- 435.203751 225.2
[M+Na-2H]- 397.164566 193.9
[M]+ 376.18935142 188.6
[M]- 376.19044858 188.6
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.