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

37242
Patents

253.10759 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11487 158.4
[M+Na]+ 276.09681 169.0
[M-H]- 252.10031 160.7
[M+NH4]+ 271.14141 169.9
[M+K]+ 292.07075 162.4
[M+H-H2O]+ 236.10485 148.4
[M+HCOO]- 298.10579 179.1
[M+CH3COO]- 312.12144 169.2
[M+Na-2H]- 274.08226 166.9
[M]+ 253.10704 154.7
[M]- 253.10814 154.7
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

patents stripe