CID 5771686

73718-28-2

Structural Information

Molecular Formula
C15H11N7
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)N/N=C/C4=CN=CC=C4
InChI
InChI=1S/C15H11N7/c1-2-6-12-11(5-1)13-14(18-12)19-15(22-20-13)21-17-9-10-4-3-7-16-8-10/h1-9H,(H2,18,19,21,22)/b17-9+
InChIKey
RSFGPHAYVGOZNX-RQZCQDPDSA-N
Compound name
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

1
References

1
Patents

289.1076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11488 162.2
[M+Na]+ 312.09682 172.6
[M-H]- 288.10032 165.0
[M+NH4]+ 307.14142 173.8
[M+K]+ 328.07076 164.9
[M+H-H2O]+ 272.10486 150.7
[M+HCOO]- 334.10580 183.4
[M+CH3COO]- 348.12145 172.8
[M+Na-2H]- 310.08227 174.0
[M]+ 289.10705 162.7
[M]- 289.10815 162.7
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