CID 91810435

Kdoam-25

Structural Information

Molecular Formula
C15H25N5O2
SMILES
CCN(CCN(C)C)C(=O)CNCC1=NC=CC(=C1)C(=O)N
InChI
InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
InChIKey
PNFMVADNCOGWME-UHFFFAOYSA-N
Compound name
2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

26
Patents

307.20084 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20812 176.1
[M+Na]+ 330.19006 178.7
[M-H]- 306.19356 180.0
[M+NH4]+ 325.23466 189.1
[M+K]+ 346.16400 178.8
[M+H-H2O]+ 290.19810 166.4
[M+HCOO]- 352.19904 200.7
[M+CH3COO]- 366.21469 223.1
[M+Na-2H]- 328.17551 177.0
[M]+ 307.20029 177.6
[M]- 307.20139 177.6
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