CID 135483934

Nsc647262

Structural Information

Molecular Formula
C30H27N4O6
SMILES
C[N+](C)(C)CC(=O)N/N=C/C1=C(C(=C(O1)C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O)[N+](=O)[O-]
InChI
InChI=1S/C30H26N4O6/c1-34(2,3)17-25(37)32-31-16-24-29(33(38)39)28(26-20-10-6-4-8-18(20)12-14-22(26)35)30(40-24)27-21-11-7-5-9-19(21)13-15-23(27)36/h4-16H,17H2,1-3H3,(H2-,31,32,35,36,37)/p+1
InChIKey
RZTHTFCFHUMAKQ-UHFFFAOYSA-O
Compound name
[2-[(2E)-2-[[4,5-bis(2-hydroxynaphthalen-1-yl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.19305 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.20033 229.4
[M+Na]+ 562.18227 232.1
[M-H]- 538.18577 241.5
[M+NH4]+ 557.22687 233.8
[M+K]+ 578.15621 219.6
[M+H-H2O]+ 522.19031 225.1
[M+HCOO]- 584.19125 249.8
[M+CH3COO]- 598.20690 244.7
[M+Na-2H]- 560.16772 238.6
[M]+ 539.19250 231.1
[M]- 539.19360 231.1
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.