CID 5546

Triamterene

Structural Information

Molecular Formula

C₁₂H₁₁N₇

SMILES

C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N

InChI

InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)

InChIKey

FNYLWPVRPXGIIP-UHFFFAOYSA-N

Compound name

6-phenylpteridine-2,4,7-triamine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1342
References: 38280
Patents: 253.10759 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.114866	158.4
[M+Na]+	276.096808	169.0
[M-H]-	252.100314	160.7
[M+NH4]+	271.141413	169.9
[M+K]+	292.070748	162.4
[M+H-H2O]+	236.104850	148.4
[M+HCOO]-	298.105791	179.1
[M+CH3COO]-	312.121441	169.2
[M+Na-2H]-	274.082256	166.9
[M]+	253.10704142	154.7
[M]-	253.10813858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe