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 159.5
[M+Na]+ 266.13761 167.0
[M-H]- 242.14111 160.7
[M+NH4]+ 261.18221 171.8
[M+K]+ 282.11155 161.5
[M+H-H2O]+ 226.14565 148.7
[M+HCOO]- 288.14659 174.5
[M+CH3COO]- 302.16224 169.1
[M+Na-2H]- 264.12306 165.4
[M]+ 243.14784 154.2
[M]- 243.14894 154.2
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