CID 6410104

327031-55-0

Structural Information

Molecular Formula
C17H15N7
SMILES
CC1=C2C(=CC=C1)C3=C(N2)N=C(N=N3)N/N=C(\C)/C4=CC=CC=N4
InChI
InChI=1S/C17H15N7/c1-10-6-5-7-12-14(10)19-16-15(12)22-24-17(20-16)23-21-11(2)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,19,20,23,24)/b21-11+
InChIKey
UQOSBPRTQFFUOA-SRZZPIQSSA-N
Compound name
6-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

43
Patents

317.1389 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14618 173.5
[M+Na]+ 340.12812 183.6
[M-H]- 316.13162 176.5
[M+NH4]+ 335.17272 184.2
[M+K]+ 356.10206 176.0
[M+H-H2O]+ 300.13616 162.1
[M+HCOO]- 362.13710 193.0
[M+CH3COO]- 376.15275 183.4
[M+Na-2H]- 338.11357 182.4
[M]+ 317.13835 174.5
[M]- 317.13945 174.5
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.