CID 5277421

Carbamic acid, [4-[[2-methyl-3-(methylphenylamino)propyl]amino]-2,6-pyridinediyl]bis-, diethyl ester

Structural Information

Molecular Formula
C22H31N5O4
SMILES
CCOC(=O)NC1=CC(=CC(=N1)NC(=O)OCC)NCC(C)CN(C)C2=CC=CC=C2
InChI
InChI=1S/C22H31N5O4/c1-5-30-21(28)25-19-12-17(13-20(24-19)26-22(29)31-6-2)23-14-16(3)15-27(4)18-10-8-7-9-11-18/h7-13,16H,5-6,14-15H2,1-4H3,(H3,23,24,25,26,28,29)
InChIKey
OGYYNDXXNHOIHC-UHFFFAOYSA-N
Compound name
ethyl N-[6-(ethoxycarbonylamino)-4-[[2-methyl-3-(N-methylanilino)propyl]amino]pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.2376 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.24488 205.4
[M+Na]+ 452.22682 206.2
[M-H]- 428.23032 211.2
[M+NH4]+ 447.27142 212.7
[M+K]+ 468.20076 205.4
[M+H-H2O]+ 412.23486 194.0
[M+HCOO]- 474.23580 228.5
[M+CH3COO]- 488.25145 241.4
[M+Na-2H]- 450.21227 206.0
[M]+ 429.23705 209.0
[M]- 429.23815 209.0
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.