CID 48880

67026-76-0

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CCC(C)(C)N=C(NC1=CN=CC=C1)NC(=O)OCC
InChI
InChI=1S/C14H22N4O2/c1-5-14(3,4)18-12(17-13(19)20-6-2)16-11-8-7-9-15-10-11/h7-10H,5-6H2,1-4H3,(H2,16,17,18,19)
InChIKey
ZXZNOYYBACIEFA-UHFFFAOYSA-N
Compound name
ethyl N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 167.9
[M+Na]+ 301.16352 171.7
[M-H]- 277.16702 171.0
[M+NH4]+ 296.20812 182.3
[M+K]+ 317.13746 170.6
[M+H-H2O]+ 261.17156 159.4
[M+HCOO]- 323.17250 191.4
[M+CH3COO]- 337.18815 207.6
[M+Na-2H]- 299.14897 173.4
[M]+ 278.17375 169.0
[M]- 278.17485 169.0
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

No patent data available for this compound.