CID 16133672

Carbamic acid, [1,2-hydrazinediylbis(6-amino-5-nitro-4,2-pyridinediyl)]bis-, diethyl ester

Structural Information

Molecular Formula
C16H20N10O8
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)NNC2=CC(=NC(=C2[N+](=O)[O-])N)NC(=O)OCC)[N+](=O)[O-])N
InChI
InChI=1S/C16H20N10O8/c1-3-33-15(27)21-9-5-7(11(25(29)30)13(17)19-9)23-24-8-6-10(22-16(28)34-4-2)20-14(18)12(8)26(31)32/h5-6H,3-4H2,1-2H3,(H4,17,19,21,23,27)(H4,18,20,22,24,28)
InChIKey
VRQRNSBQQAWSHL-UHFFFAOYSA-N
Compound name
ethyl N-[6-amino-4-[2-[2-amino-6-(ethoxycarbonylamino)-3-nitropyridin-4-yl]hydrazinyl]-5-nitropyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.14655 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15383 213.7
[M+Na]+ 503.13577 216.4
[M-H]- 479.13927 212.1
[M+NH4]+ 498.18037 217.7
[M+K]+ 519.10971 214.6
[M+H-H2O]+ 463.14381 200.4
[M+HCOO]- 525.14475 219.5
[M+CH3COO]- 539.16040 237.7
[M+Na-2H]- 501.12122 255.7
[M]+ 480.14600 261.2
[M]- 480.14710 261.2
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.