CID 3076008

2-(4-pentyl-1-piperazinyl)-4-pentyloxyquinazoline fumarate

Structural Information

Molecular Formula
C22H34N4O
SMILES
CCCCCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCCCC
InChI
InChI=1S/C22H34N4O/c1-3-5-9-13-25-14-16-26(17-15-25)22-23-20-12-8-7-11-19(20)21(24-22)27-18-10-6-4-2/h7-8,11-12H,3-6,9-10,13-18H2,1-2H3
InChIKey
ZTNVHVGFSCEZKR-UHFFFAOYSA-N
Compound name
4-pentoxy-2-(4-pentylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.27325 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.28053 197.9
[M+Na]+ 393.26247 201.8
[M-H]- 369.26597 197.7
[M+NH4]+ 388.30707 205.3
[M+K]+ 409.23641 195.3
[M+H-H2O]+ 353.27051 184.9
[M+HCOO]- 415.27145 209.4
[M+CH3COO]- 429.28710 220.6
[M+Na-2H]- 391.24792 199.3
[M]+ 370.27270 198.3
[M]- 370.27380 198.3
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

No patent data available for this compound.