CID 46224516

1255580-76-7

Structural Information

Molecular Formula
C30H47N5O2
SMILES
CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5
InChI
InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
InChIKey
QOECJCJVIMVJGX-UHFFFAOYSA-N
Compound name
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

65
References

451
Patents

509.373 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.38028 229.2
[M+Na]+ 532.36222 226.8
[M-H]- 508.36572 233.7
[M+NH4]+ 527.40682 230.9
[M+K]+ 548.33616 220.3
[M+H-H2O]+ 492.37026 214.1
[M+HCOO]- 554.37120 234.1
[M+CH3COO]- 568.38685 231.0
[M+Na-2H]- 530.34767 221.5
[M]+ 509.37245 221.5
[M]- 509.37355 221.5
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