CID 42923806

2-(piperazin-1-ylmethyl)quinazolin-4-amine trihydrochloride

Structural Information

Molecular Formula
C13H17N5
SMILES
C1CN(CCN1)CC2=NC3=CC=CC=C3C(=N2)N
InChI
InChI=1S/C13H17N5/c14-13-10-3-1-2-4-11(10)16-12(17-13)9-18-7-5-15-6-8-18/h1-4,15H,5-9H2,(H2,14,16,17)
InChIKey
XNNKGPVDSHYBLT-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.14839 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15567 158.1
[M+Na]+ 266.13761 164.3
[M-H]- 242.14111 157.6
[M+NH4]+ 261.18221 169.4
[M+K]+ 282.11155 158.0
[M+H-H2O]+ 226.14565 147.5
[M+HCOO]- 288.14659 171.7
[M+CH3COO]- 302.16224 166.8
[M+Na-2H]- 264.12306 164.6
[M]+ 243.14784 150.7
[M]- 243.14894 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe