CID 65875
Nerisopam
Structural Information
- Molecular Formula
- C18H19N3O2
- SMILES
- CC1=NN=C(C2=CC(=C(C=C2C1)OC)OC)C3=CC=C(C=C3)N
- InChI
- InChI=1S/C18H19N3O2/c1-11-8-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-4-6-14(19)7-5-12/h4-7,9-10H,8,19H2,1-3H3
- InChIKey
- WWQDEXGFYVSTCX-UHFFFAOYSA-N
- Compound name
- 4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 310.15502 | 173.9 |
[M+Na]+ | 332.13696 | 187.3 |
[M+NH4]+ | 327.18156 | 180.7 |
[M+K]+ | 348.11090 | 181.1 |
[M-H]- | 308.14046 | 178.1 |
[M+Na-2H]- | 330.12241 | 181.4 |
[M]+ | 309.14719 | 177.1 |
[M]- | 309.14829 | 177.1 |