CID 17947876

4-(4-methylpiperazin-1-yl)quinazolin-6-amine

Structural Information

Molecular Formula
C13H17N5
SMILES
CN1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C13H17N5/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7,14H2,1H3
InChIKey
UIMGUNWHHBSISY-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)quinazolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

243.14839 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15567 157.4
[M+Na]+ 266.13761 171.4
[M+NH4]+ 261.18221 165.3
[M+K]+ 282.11155 164.2
[M-H]- 242.14111 160.9
[M+Na-2H]- 264.12306 164.7
[M]+ 243.14784 160.3
[M]- 243.14894 160.3
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