CID 55784

Bemitradine

Structural Information

Molecular Formula
C15H17N5O
SMILES
CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3
InChI
InChI=1S/C15H17N5O/c1-2-21-9-8-12-13(11-6-4-3-5-7-11)19-15(16)20-14(12)17-10-18-20/h3-7,10H,2,8-9H2,1H3,(H2,16,19)
InChIKey
OZSPQIXKOVJJGE-UHFFFAOYSA-N
Compound name
8-(2-ethoxyethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

443
Patents

283.1433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15058 165.8
[M+Na]+ 306.13252 176.2
[M-H]- 282.13602 168.5
[M+NH4]+ 301.17712 178.7
[M+K]+ 322.10646 170.4
[M+H-H2O]+ 266.14056 155.3
[M+HCOO]- 328.14150 187.0
[M+CH3COO]- 342.15715 177.0
[M+Na-2H]- 304.11797 171.9
[M]+ 283.14275 169.1
[M]- 283.14385 169.1
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