CID 3050778

Brn 0427393

Structural Information

Molecular Formula
C15H21N5O
SMILES
CC(C)C(=O)N(C(=NC1=CN=CC=C1)NC#N)C(C)(C)C
InChI
InChI=1S/C15H21N5O/c1-11(2)13(21)20(15(3,4)5)14(18-10-16)19-12-7-6-8-17-9-12/h6-9,11H,1-5H3,(H,18,19)
InChIKey
RFIOINJVJXITQA-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.17462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18190 176.4
[M+Na]+ 310.16384 181.1
[M-H]- 286.16734 179.5
[M+NH4]+ 305.20844 188.9
[M+K]+ 326.13778 180.9
[M+H-H2O]+ 270.17188 161.0
[M+HCOO]- 332.17282 194.6
[M+CH3COO]- 346.18847 222.9
[M+Na-2H]- 308.14929 178.1
[M]+ 287.17407 171.2
[M]- 287.17517 171.2
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.