CID 9555601

Nsc370588

Structural Information

Molecular Formula
C15H11N7O3
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)N/N=C/C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C15H11N7O3/c1-21-11-5-3-2-4-10(11)13-14(21)17-15(20-18-13)19-16-8-9-6-7-12(25-9)22(23)24/h2-8H,1H3,(H,17,19,20)/b16-8+
InChIKey
NCTNLQMCZUHCSD-LZYBPNLTSA-N
Compound name
5-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.09235 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09963 170.5
[M+Na]+ 360.08157 180.7
[M-H]- 336.08507 178.3
[M+NH4]+ 355.12617 182.1
[M+K]+ 376.05551 173.0
[M+H-H2O]+ 320.08961 164.7
[M+HCOO]- 382.09055 196.6
[M+CH3COO]- 396.10620 210.2
[M+Na-2H]- 358.06702 182.2
[M]+ 337.09180 175.2
[M]- 337.09290 175.2
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.