CID 161668

30589-47-0

Structural Information

Molecular Formula
C16H15N3
SMILES
CC1=NNC2C3=CC=CC=C3C4=CC=CC=C4N2C1
InChI
InChI=1S/C16H15N3/c1-11-10-19-15-9-5-4-7-13(15)12-6-2-3-8-14(12)16(19)18-17-11/h2-9,16,18H,10H2,1H3
InChIKey
UHHCDXFHIOZFDO-UHFFFAOYSA-N
Compound name
3-methyl-4,13b-dihydro-1H-[1,2,4]triazino[4,3-f]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 157.9
[M+Na]+ 272.11582 166.7
[M-H]- 248.11932 158.2
[M+NH4]+ 267.16042 173.2
[M+K]+ 288.08976 159.4
[M+H-H2O]+ 232.12386 147.9
[M+HCOO]- 294.12480 170.8
[M+CH3COO]- 308.14045 167.9
[M+Na-2H]- 270.10127 166.7
[M]+ 249.12605 154.1
[M]- 249.12715 154.1
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.