CID 9571646

Nsc694985

Structural Information

Molecular Formula
C19H27N5O7
SMILES
CCOC(=O)C(/C=N/NC(=O)C)NC1=C(C=C(C(=C1)NC(=O)OCC)NC(=O)C)OC
InChI
InChI=1S/C19H27N5O7/c1-6-30-18(27)16(10-20-24-12(4)26)22-15-8-13(23-19(28)31-7-2)14(21-11(3)25)9-17(15)29-5/h8-10,16,22H,6-7H2,1-5H3,(H,21,25)(H,23,28)(H,24,26)/b20-10+
InChIKey
ARRNHPZTQZITMM-KEBDBYFISA-N
Compound name
ethyl (3E)-2-[4-acetamido-5-(ethoxycarbonylamino)-2-methoxyanilino]-3-(acetylhydrazinylidene)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.19104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19832 202.0
[M+Na]+ 460.18026 203.2
[M-H]- 436.18376 206.3
[M+NH4]+ 455.22486 210.2
[M+K]+ 476.15420 205.1
[M+H-H2O]+ 420.18830 192.0
[M+HCOO]- 482.18924 226.9
[M+CH3COO]- 496.20489 245.2
[M+Na-2H]- 458.16571 200.0
[M]+ 437.19049 207.2
[M]- 437.19159 207.2
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.