CID 159470

111757-17-6

Structural Information

Molecular Formula
C12H19N3O
SMILES
CCCN(CCC)C=NC1=CC=CC(=O)N1
InChI
InChI=1S/C12H19N3O/c1-3-8-15(9-4-2)10-13-11-6-5-7-12(16)14-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)
InChIKey
MEYPAYJYAZKERR-UHFFFAOYSA-N
Compound name
N'-(6-oxo-1H-pyridin-2-yl)-N,N-dipropylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

126
Patents

221.15282 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 151.3
[M+Na]+ 244.142038 157.3
[M-H]- 220.145544 154.5
[M+NH4]+ 239.186643 168.5
[M+K]+ 260.115978 155.1
[M+H-H2O]+ 204.150080 143.2
[M+HCOO]- 266.151021 176.7
[M+CH3COO]- 280.166671 197.1
[M+Na-2H]- 242.127486 157.1
[M]+ 221.15227142 152.8
[M]- 221.15336858 152.8
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

patents stripe