CID 5271111

N-dodecyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine

Structural Information

Molecular Formula
C22H33N5
SMILES
CCCCCCCCCCCCNC1=NC2=C(C3=CC=CC=C3N2C)N=N1
InChI
InChI=1S/C22H33N5/c1-3-4-5-6-7-8-9-10-11-14-17-23-22-24-21-20(25-26-22)18-15-12-13-16-19(18)27(21)2/h12-13,15-16H,3-11,14,17H2,1-2H3,(H,23,24,26)
InChIKey
ZNWLJFPSKYFZDA-UHFFFAOYSA-N
Compound name
N-dodecyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.2736 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.28088 195.4
[M+Na]+ 390.26282 202.6
[M-H]- 366.26632 194.6
[M+NH4]+ 385.30742 206.4
[M+K]+ 406.23676 195.1
[M+H-H2O]+ 350.27086 184.0
[M+HCOO]- 412.27180 212.9
[M+CH3COO]- 426.28745 223.8
[M+Na-2H]- 388.24827 199.1
[M]+ 367.27305 201.7
[M]- 367.27415 201.7
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.