CID 371992

Nsc646807

Structural Information

Molecular Formula
C19H14N4O5
SMILES
CC1=C(C2=CC=CC=C2C(=C1NC(=O)C(=O)N=NC(=O)C3=CC=NC=C3)O)O
InChI
InChI=1S/C19H14N4O5/c1-10-14(16(25)13-5-3-2-4-12(13)15(10)24)21-18(27)19(28)23-22-17(26)11-6-8-20-9-7-11/h2-9,24-25H,1H3,(H,21,27)
InChIKey
FLEJZGYNIIZHJS-UHFFFAOYSA-N
Compound name
N-(1,4-dihydroxy-3-methylnaphthalen-2-yl)-N'-(pyridine-4-carbonylimino)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.0964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10368 185.0
[M+Na]+ 401.08562 191.3
[M-H]- 377.08912 191.9
[M+NH4]+ 396.13022 195.2
[M+K]+ 417.05956 188.8
[M+H-H2O]+ 361.09366 175.1
[M+HCOO]- 423.09460 207.7
[M+CH3COO]- 437.11025 225.1
[M+Na-2H]- 399.07107 189.4
[M]+ 378.09585 186.6
[M]- 378.09695 186.6
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

patents stripe