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

27
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

literature stripe

Patent stripe

patents stripe