CID 5478100
Nsc381082
Structural Information
- Molecular Formula
- C22H26N2O3
- SMILES
- C/C=C/1\CN2CCC34C5=CC=CC=C5N(C36C2CC1C4(CO6)C(=O)OC)C
- InChI
- InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21)18(24)11-16(14)20(21,13-27-22)19(25)26-3/h4-8,16,18H,9-13H2,1-3H3/b14-4+
- InChIKey
- HAGBWVNSVWLTKY-LNKIKWGQSA-N
- Compound name
- methyl (14Z)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 367.20162 | 184.7 |
[M+Na]+ | 389.18356 | 191.5 |
[M-H]- | 365.18706 | 187.6 |
[M+NH4]+ | 384.22816 | 206.9 |
[M+K]+ | 405.15750 | 186.3 |
[M+H-H2O]+ | 349.19160 | 174.5 |
[M+HCOO]- | 411.19254 | 190.5 |
[M+CH3COO]- | 425.20819 | 193.0 |
[M+Na-2H]- | 387.16901 | 185.9 |
[M]+ | 366.19379 | 184.6 |
[M]- | 366.19489 | 184.6 |
Literature stripe
No literature data available for this compound.