CID 447766
5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one
Structural Information
- Molecular Formula
- C17H15FN4O
- SMILES
- C1=CNC(=C1)C2=C3C4=C(C=CC(=C4C(=C2)NCCN)F)NC3=O
- InChI
- InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)
- InChIKey
- CQCXWWWNUFQYJS-UHFFFAOYSA-N
- Compound name
- 5-(2-aminoethylamino)-6-fluoro-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.13028 | 167.3 |
[M+Na]+ | 333.11222 | 177.3 |
[M-H]- | 309.11572 | 170.0 |
[M+NH4]+ | 328.15682 | 183.7 |
[M+K]+ | 349.08616 | 169.4 |
[M+H-H2O]+ | 293.12026 | 159.2 |
[M+HCOO]- | 355.12120 | 187.2 |
[M+CH3COO]- | 369.13685 | 178.1 |
[M+Na-2H]- | 331.09767 | 170.3 |
[M]+ | 310.12245 | 165.9 |
[M]- | 310.12355 | 165.9 |