CID 5277423

Methyl n-[6-amino-4-[[(e)-1,3-dihydroxy-2-phenyl-allyl]amino]-5-nitro-2-pyridyl]carbamate

Structural Information

Molecular Formula
C16H17N5O6
SMILES
COC(=O)NC1=NC(=C(C(=C1)NC(/C(=C/O)/C2=CC=CC=C2)O)[N+](=O)[O-])N
InChI
InChI=1S/C16H17N5O6/c1-27-16(24)20-12-7-11(13(21(25)26)14(17)19-12)18-15(23)10(8-22)9-5-3-2-4-6-9/h2-8,15,22-23H,1H3,(H4,17,18,19,20,24)/b10-8+
InChIKey
GAZBULGRQRLTBY-CSKARUKUSA-N
Compound name
methyl N-[6-amino-4-[[(E)-1,3-dihydroxy-2-phenylprop-2-enyl]amino]-5-nitropyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1179 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12518 178.8
[M+Na]+ 398.10712 180.8
[M-H]- 374.11062 181.2
[M+NH4]+ 393.15172 185.3
[M+K]+ 414.08106 174.4
[M+H-H2O]+ 358.11516 173.7
[M+HCOO]- 420.11610 199.7
[M+CH3COO]- 434.13175 212.8
[M+Na-2H]- 396.09257 182.6
[M]+ 375.11735 174.1
[M]- 375.11845 174.1
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.