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
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 |