CID 5277394

Ethyl n-[6-methyl-5-nitro-4-(4-phenylbutylamino)-2-pyridyl]carbamate

Structural Information

Molecular Formula
C19H24N4O4
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)NCCCCC2=CC=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C19H24N4O4/c1-3-27-19(24)22-17-13-16(18(23(25)26)14(2)21-17)20-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKey
JDLRCGVHFTYMRX-UHFFFAOYSA-N
Compound name
ethyl N-[6-methyl-5-nitro-4-(4-phenylbutylamino)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.17975 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18703 188.1
[M+Na]+ 395.16897 191.4
[M-H]- 371.17247 193.0
[M+NH4]+ 390.21357 197.2
[M+K]+ 411.14291 183.7
[M+H-H2O]+ 355.17701 182.3
[M+HCOO]- 417.17795 212.0
[M+CH3COO]- 431.19360 217.0
[M+Na-2H]- 393.15442 192.9
[M]+ 372.17920 188.9
[M]- 372.18030 188.9
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.