CID 5271121

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

Structural Information

Molecular Formula
C15H17N5O2
SMILES
CC(=O)OCCCNC1=NC2=C(C3=CC=CC=C3N2C)N=N1
InChI
InChI=1S/C15H17N5O2/c1-10(21)22-9-5-8-16-15-17-14-13(18-19-15)11-6-3-4-7-12(11)20(14)2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17,19)
InChIKey
DNBRHMPEUZMLBS-UHFFFAOYSA-N
Compound name
3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.1382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14548 169.7
[M+Na]+ 322.12742 179.8
[M-H]- 298.13092 170.6
[M+NH4]+ 317.17202 183.3
[M+K]+ 338.10136 175.1
[M+H-H2O]+ 282.13546 159.9
[M+HCOO]- 344.13640 189.3
[M+CH3COO]- 358.15205 180.5
[M+Na-2H]- 320.11287 176.3
[M]+ 299.13765 175.3
[M]- 299.13875 175.3
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.