CID 247982

Nsc63875

Structural Information

Molecular Formula
C30H22N6O
SMILES
CC1=NC2=CC=CC=C2N=C1C3=CC=C(C=C3)N=[N+](C4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5C)[O-]
InChI
InChI=1S/C30H22N6O/c1-19-29(33-27-9-5-3-7-25(27)31-19)21-11-15-23(16-12-21)35-36(37)24-17-13-22(14-18-24)30-20(2)32-26-8-4-6-10-28(26)34-30/h3-18H,1-2H3
InChIKey
DFQPITYGXWWMAR-UHFFFAOYSA-N
Compound name
[4-(3-methylquinoxalin-2-yl)phenyl]-[4-(3-methylquinoxalin-2-yl)phenyl]imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

482.18552 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.19280 221.2
[M+Na]+ 505.17474 227.7
[M-H]- 481.17824 230.9
[M+NH4]+ 500.21934 222.8
[M+K]+ 521.14868 213.5
[M+H-H2O]+ 465.18278 208.1
[M+HCOO]- 527.18372 238.8
[M+CH3COO]- 541.19937 240.4
[M+Na-2H]- 503.16019 230.7
[M]+ 482.18497 219.9
[M]- 482.18607 219.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe