CID 9569985

Nsc630310

Structural Information

Molecular Formula
C30H25N5O5
SMILES
C1=CC=C(C=C1)C(C#N)/C(=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)/CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C30H25N5O5/c31-19-26(20-8-2-1-3-9-20)27(14-7-15-29(37)32-23-12-6-13-24(18-23)35(39)40)33-34-30(38)25-16-21-10-4-5-11-22(21)17-28(25)36/h1-6,8-13,16-18,26,36H,7,14-15H2,(H,32,37)(H,34,38)/b33-27+
InChIKey
UCQHQOUILVBNLC-MUGXBBEHSA-N
Compound name
N-[(E)-[1-cyano-6-(3-nitroanilino)-6-oxo-1-phenylhexan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.18555 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.19283 240.8
[M+Na]+ 558.17477 241.7
[M-H]- 534.17827 245.7
[M+NH4]+ 553.21937 241.8
[M+K]+ 574.14871 231.1
[M+H-H2O]+ 518.18281 226.3
[M+HCOO]- 580.18375 256.1
[M+CH3COO]- 594.19940 253.9
[M+Na-2H]- 556.16022 240.6
[M]+ 535.18500 232.0
[M]- 535.18610 232.0
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.