CID 9555604

Nsc370591

Structural Information

Molecular Formula
C16H13N7
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)N/N=C/C4=CC=NC=C4
InChI
InChI=1S/C16H13N7/c1-23-13-5-3-2-4-12(13)14-15(23)19-16(22-20-14)21-18-10-11-6-8-17-9-7-11/h2-10H,1H3,(H,19,21,22)/b18-10+
InChIKey
RAMJJNBFWVTJQA-VCHYOVAHSA-N
Compound name
5-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12323 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13051 169.2
[M+Na]+ 326.11245 180.5
[M-H]- 302.11595 173.4
[M+NH4]+ 321.15705 181.2
[M+K]+ 342.08639 173.2
[M+H-H2O]+ 286.12049 157.2
[M+HCOO]- 348.12143 191.3
[M+CH3COO]- 362.13708 180.2
[M+Na-2H]- 324.09790 179.8
[M]+ 303.12268 172.0
[M]- 303.12378 172.0
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.