CID 9571221

Nsc370578

Structural Information

Molecular Formula
C15H10BrN7
SMILES
C1=CC(=CN=C1)/C=N/NC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2
InChI
InChI=1S/C15H10BrN7/c16-10-3-4-12-11(6-10)13-14(19-12)20-15(23-21-13)22-18-8-9-2-1-5-17-7-9/h1-8H,(H2,19,20,22,23)/b18-8+
InChIKey
LJPRDUXJWAIRFT-QGMBQPNBSA-N
Compound name
8-bromo-N-[(E)-pyridin-3-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0181 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02538 169.4
[M+Na]+ 390.00732 182.7
[M-H]- 366.01082 175.0
[M+NH4]+ 385.05192 182.3
[M+K]+ 405.98126 168.3
[M+H-H2O]+ 350.01536 165.4
[M+HCOO]- 412.01630 188.5
[M+CH3COO]- 426.03195 181.6
[M+Na-2H]- 387.99277 181.1
[M]+ 367.01755 188.6
[M]- 367.01865 188.6
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.