CID 135445363
2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one
Structural Information
- Molecular Formula
- C13H19N5OS
- SMILES
- CN(C)CCSCC1=C2C(=CC(=C1)N)C(=O)NC(=N2)N
- InChI
- InChI=1S/C13H19N5OS/c1-18(2)3-4-20-7-8-5-9(14)6-10-11(8)16-13(15)17-12(10)19/h5-6H,3-4,7,14H2,1-2H3,(H3,15,16,17,19)
- InChIKey
- FDIXHXDLCOSDFY-UHFFFAOYSA-N
- Compound name
- 2,6-diamino-8-[2-(dimethylamino)ethylsulfanylmethyl]-3H-quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 294.13832 | 165.3 |
[M+Na]+ | 316.12026 | 173.5 |
[M-H]- | 292.12376 | 166.6 |
[M+NH4]+ | 311.16486 | 178.9 |
[M+K]+ | 332.09420 | 168.0 |
[M+H-H2O]+ | 276.12830 | 157.3 |
[M+HCOO]- | 338.12924 | 181.5 |
[M+CH3COO]- | 352.14489 | 210.8 |
[M+Na-2H]- | 314.10571 | 167.8 |
[M]+ | 293.13049 | 166.2 |
[M]- | 293.13159 | 166.2 |