CID 376644

Nsc657674

Structural Information

Molecular Formula
C19H33N7O4
SMILES
CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)C[N+](C)(C)C)C(=O)NNC(=O)C[N+](C)(C)C
InChI
InChI=1S/C19H31N7O4/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/h9H,10-11H2,1-8H3,(H2-2,21,22,23,24,27,28,29,30)/p+2
InChIKey
UCIZHMRPDMQTKX-UHFFFAOYSA-P
Compound name
[2-[2-[2,6-dimethyl-5-[[[2-(trimethylazaniumyl)acetyl]amino]carbamoyl]pyridine-3-carbonyl]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2594 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.26668 189.4
[M+Na]+ 446.24862 191.1
[M-H]- 422.25212 194.7
[M+NH4]+ 441.29322 240.5
[M+K]+ 462.22256 181.1
[M+H-H2O]+ 406.25666 186.3
[M+HCOO]- 468.25760 247.4
[M+CH3COO]- 482.27325 231.8
[M+Na-2H]- 444.23407 198.4
[M]+ 423.25885 188.4
[M]- 423.25995 188.4
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.