CID 5277693

Ethyl n-[6-(allylamino)-4-amino-5-nitro-2-pyridyl]carbamate

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)N)[N+](=O)[O-])NCC=C
InChI
InChI=1S/C11H15N5O4/c1-3-5-13-10-9(16(18)19)7(12)6-8(14-10)15-11(17)20-4-2/h3,6H,1,4-5H2,2H3,(H4,12,13,14,15,17)
InChIKey
BQHQTRLXVYMVGF-UHFFFAOYSA-N
Compound name
ethyl N-[4-amino-5-nitro-6-(prop-2-enylamino)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 159.1
[M+Na]+ 304.10162 164.5
[M-H]- 280.10512 161.3
[M+NH4]+ 299.14622 171.8
[M+K]+ 320.07556 158.2
[M+H-H2O]+ 264.10966 155.4
[M+HCOO]- 326.11060 184.9
[M+CH3COO]- 340.12625 200.7
[M+Na-2H]- 302.08707 164.8
[M]+ 281.11185 157.2
[M]- 281.11295 157.2
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.