CID 135483932

Nsc635116

Structural Information

Molecular Formula
C18H25N7O6
SMILES
COC(=O)C1=C(C(=O)C=C(N1)NN)CCCCCC2=C(N=C(NC2=O)NN)C(=O)OC
InChI
InChI=1S/C18H25N7O6/c1-30-16(28)13-9(11(26)8-12(21-13)24-19)6-4-3-5-7-10-14(17(29)31-2)22-18(25-20)23-15(10)27/h8H,3-7,19-20H2,1-2H3,(H2,21,24,26)(H2,22,23,25,27)
InChIKey
HBBHAWLUUVGSTL-UHFFFAOYSA-N
Compound name
methyl 2-hydrazinyl-5-[5-(6-hydrazinyl-2-methoxycarbonyl-4-oxo-1H-pyridin-3-yl)pentyl]-6-oxo-1H-pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.18665 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.19393 200.8
[M+Na]+ 458.17587 206.0
[M-H]- 434.17937 201.3
[M+NH4]+ 453.22047 203.4
[M+K]+ 474.14981 202.1
[M+H-H2O]+ 418.18391 189.9
[M+HCOO]- 480.18485 219.4
[M+CH3COO]- 494.20050 237.2
[M+Na-2H]- 456.16132 200.3
[M]+ 435.18610 200.9
[M]- 435.18720 200.9
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.