CID 3042981
54906-88-6
Structural Information
- Molecular Formula
- C15H13IN2O
- SMILES
- CN1C(=O)CNC(=C2C=CC=C2)C3=C1C=CC(=C3)I
- InChI
- InChI=1S/C15H13IN2O/c1-18-13-7-6-11(16)8-12(13)15(17-9-14(18)19)10-4-2-3-5-10/h2-8,17H,9H2,1H3
- InChIKey
- RVWYQAKZBIULMY-UHFFFAOYSA-N
- Compound name
- 5-cyclopenta-2,4-dien-1-ylidene-7-iodo-1-methyl-3,4-dihydro-1,4-benzodiazepin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 365.01454 | 159.0 |
[M+Na]+ | 386.99648 | 160.2 |
[M-H]- | 362.99998 | 157.4 |
[M+NH4]+ | 382.04108 | 170.2 |
[M+K]+ | 402.97042 | 163.5 |
[M+H-H2O]+ | 347.00452 | 148.3 |
[M+HCOO]- | 409.00546 | 172.1 |
[M+CH3COO]- | 423.02111 | 166.2 |
[M+Na-2H]- | 384.98193 | 150.4 |
[M]+ | 364.00671 | 151.0 |
[M]- | 364.00781 | 151.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.