CID 5271133

4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol

Structural Information

Molecular Formula
C16H13N5O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NC4=CC=C(C=C4)O
InChI
InChI=1S/C16H13N5O/c1-21-13-5-3-2-4-12(13)14-15(21)18-16(20-19-14)17-10-6-8-11(22)9-7-10/h2-9,22H,1H3,(H,17,18,20)
InChIKey
KRTBNUNZXHZWNI-UHFFFAOYSA-N
Compound name
4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11928 166.5
[M+Na]+ 314.10122 178.2
[M-H]- 290.10472 169.9
[M+NH4]+ 309.14582 179.6
[M+K]+ 330.07516 171.0
[M+H-H2O]+ 274.10926 156.3
[M+HCOO]- 336.11020 186.1
[M+CH3COO]- 350.12585 177.7
[M+Na-2H]- 312.08667 174.8
[M]+ 291.11145 168.5
[M]- 291.11255 168.5
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

No patent data available for this compound.