CID 204151

Yellow orange 2-61

Structural Information

Molecular Formula
C18H17N5O6
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)C(=O)N)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C18H17N5O6/c1-10(24)16(18(26)20-12-5-3-11(4-6-12)17(19)25)22-21-14-8-7-13(29-2)9-15(14)23(27)28/h3-9,16H,1-2H3,(H2,19,25)(H,20,26)
InChIKey
YMNGRYRTVLVNBH-UHFFFAOYSA-N
Compound name
4-[[2-[(4-methoxy-2-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1179 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12518 188.0
[M+Na]+ 422.10712 190.1
[M-H]- 398.11062 196.4
[M+NH4]+ 417.15172 196.7
[M+K]+ 438.08106 186.1
[M+H-H2O]+ 382.11516 182.0
[M+HCOO]- 444.11610 215.4
[M+CH3COO]- 458.13175 230.0
[M+Na-2H]- 420.09257 191.0
[M]+ 399.11735 187.8
[M]- 399.11845 187.8
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.