CID 5897350

Nsc647110

Structural Information

Molecular Formula
C30H25Cl2N6O5
SMILES
C[N+](C)(C)CC(=O)N/N=C(\CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O)/C(=O)NC5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C30H24Cl2N6O5/c1-38(2,3)14-24(39)37-36-23(30(43)33-15-8-10-19(31)20(32)12-15)13-22-29(42)35-21-11-9-18-25(26(21)34-22)28(41)17-7-5-4-6-16(17)27(18)40/h4-12H,13-14H2,1-3H3,(H2-,33,35,37,39,40,42,43)/p+1
InChIKey
PRHYTXKHDUGNDM-UHFFFAOYSA-O
Compound name
[2-[(2E)-2-[1-(3,4-dichloroanilino)-1-oxo-3-(3,7,12-trioxo-4H-naphtho[2,3-h]quinoxalin-2-yl)propan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.12634 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.13362 239.9
[M+Na]+ 642.11556 245.2
[M-H]- 618.11906 246.4
[M+NH4]+ 637.16016 242.3
[M+K]+ 658.08950 234.8
[M+H-H2O]+ 602.12360 232.0
[M+HCOO]- 664.12454 245.8
[M+CH3COO]- 678.14019 266.7
[M+Na-2H]- 640.10101 246.3
[M]+ 619.12579 245.2
[M]- 619.12689 245.2
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.