CID 3041513
3,4,11b-triazacyclohepta(j,k)fluorene, 1,2,3,5,6,7-hexahydro-3-ethyl-
Structural Information
- Molecular Formula
- C16H19N3
- SMILES
- CCN1CCN2C3=CC=CC=C3C4=C2C1=NCCC4
- InChI
- InChI=1S/C16H19N3/c1-2-18-10-11-19-14-8-4-3-6-12(14)13-7-5-9-17-16(18)15(13)19/h3-4,6,8H,2,5,7,9-11H2,1H3
- InChIKey
- YOCZRSCSXITSRW-UHFFFAOYSA-N
- Compound name
- 4-ethyl-1,4,6-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-5,10(17),11,13,15-pentaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 254.16518 | 159.5 |
[M+Na]+ | 276.14712 | 168.4 |
[M-H]- | 252.15062 | 162.7 |
[M+NH4]+ | 271.19172 | 177.1 |
[M+K]+ | 292.12106 | 165.2 |
[M+H-H2O]+ | 236.15516 | 151.0 |
[M+HCOO]- | 298.15610 | 175.0 |
[M+CH3COO]- | 312.17175 | 170.4 |
[M+Na-2H]- | 274.13257 | 165.5 |
[M]+ | 253.15735 | 157.6 |
[M]- | 253.15845 | 157.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.