CID 438663

Nsc657661

Structural Information

Molecular Formula
C19H35N7O4
SMILES
CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C[N+](C)(C)C)C(=O)NNC(=O)C[N+](C)(C)C
InChI
InChI=1S/C19H33N7O4/c1-12-14(18(29)23-21-16(27)10-25(3,4)5)9-15(13(2)20-12)19(30)24-22-17(28)11-26(6,7)8/h9-11H2,1-8H3,(H3-2,20,21,22,23,24,27,28,29,30)/p+2
InChIKey
SDMCHNACSNANIT-UHFFFAOYSA-P
Compound name
[2-[2-[2,6-dimethyl-5-[[[2-(trimethylazaniumyl)acetyl]amino]carbamoyl]-1,4-dihydropyridine-3-carbonyl]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.27505 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.28233 188.6
[M+Na]+ 448.26427 189.0
[M-H]- 424.26777 192.2
[M+NH4]+ 443.30887 239.0
[M+K]+ 464.23821 178.6
[M+H-H2O]+ 408.27231 186.0
[M+HCOO]- 470.27325 246.8
[M+CH3COO]- 484.28890 230.0
[M+Na-2H]- 446.24972 196.6
[M]+ 425.27450 184.6
[M]- 425.27560 184.6
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.