CID 9571224

Nsc370596

Structural Information

Molecular Formula
C15H12N6S
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)N/N=C/C4=CC=CS4
InChI
InChI=1S/C15H12N6S/c1-21-12-7-3-2-6-11(12)13-14(21)17-15(20-18-13)19-16-9-10-5-4-8-22-10/h2-9H,1H3,(H,17,19,20)/b16-9+
InChIKey
POBDLMSSGCGKMP-CXUHLZMHSA-N
Compound name
5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.0844 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09168 166.1
[M+Na]+ 331.07362 180.0
[M-H]- 307.07712 173.3
[M+NH4]+ 326.11822 182.8
[M+K]+ 347.04756 173.6
[M+H-H2O]+ 291.08166 157.6
[M+HCOO]- 353.08260 188.1
[M+CH3COO]- 367.09825 179.2
[M+Na-2H]- 329.05907 172.6
[M]+ 308.08385 173.5
[M]- 308.08495 173.5
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

patents stripe