CID 9571225

Nsc370597

Structural Information

Molecular Formula
C16H12N6
SMILES
C1=CC=C(C=C1)/C=N/NC2=NC3=C(C4=CC=CC=C4N3)N=N2
InChI
InChI=1S/C16H12N6/c1-2-6-11(7-3-1)10-17-21-16-19-15-14(20-22-16)12-8-4-5-9-13(12)18-15/h1-10H,(H2,18,19,21,22)/b17-10+
InChIKey
ANJYHOJJVBARTQ-LICLKQGHSA-N
Compound name
N-[(E)-benzylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.11234 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11962 161.8
[M+Na]+ 311.10156 171.9
[M-H]- 287.10506 165.8
[M+NH4]+ 306.14616 175.0
[M+K]+ 327.07550 164.3
[M+H-H2O]+ 271.10960 150.9
[M+HCOO]- 333.11054 184.2
[M+CH3COO]- 347.12619 172.9
[M+Na-2H]- 309.08701 173.2
[M]+ 288.11179 162.2
[M]- 288.11289 162.2
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

patents stripe