CID 383311

Nsc671424

Structural Information

Molecular Formula
C20H14N4O3
SMILES
C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2=NC4=CC=CC=C4
InChI
InChI=1S/C20H14N4O3/c25-24(26)16-11-12-18-17(13-16)23-19(21-14-7-3-1-4-8-14)20(27-18)22-15-9-5-2-6-10-15/h1-13H,(H,21,23)
InChIKey
OSQWYROEDCNOBF-UHFFFAOYSA-N
Compound name
6-nitro-N-phenyl-2-phenylimino-1,4-benzoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1066 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11388 180.3
[M+Na]+ 381.09582 186.0
[M-H]- 357.09932 191.3
[M+NH4]+ 376.14042 189.2
[M+K]+ 397.06976 177.7
[M+H-H2O]+ 341.10386 172.7
[M+HCOO]- 403.10480 205.5
[M+CH3COO]- 417.12045 214.8
[M+Na-2H]- 379.08127 192.0
[M]+ 358.10605 179.2
[M]- 358.10715 179.2
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.