CID 9820526
219773-55-4
Structural Information
- Molecular Formula
- C18H14N4O3S
- SMILES
- CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C(=CC=C3)OC)C4=CC=CS4
- InChI
- InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
- InChIKey
- GZGLPBNOIFLLRE-UHFFFAOYSA-N
- Compound name
- 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 367.08595 | 184.2 |
[M+Na]+ | 389.06789 | 196.8 |
[M-H]- | 365.07139 | 193.7 |
[M+NH4]+ | 384.11249 | 198.2 |
[M+K]+ | 405.04183 | 190.9 |
[M+H-H2O]+ | 349.07593 | 176.2 |
[M+HCOO]- | 411.07687 | 203.3 |
[M+CH3COO]- | 425.09252 | 196.2 |
[M+Na-2H]- | 387.05334 | 183.8 |
[M]+ | 366.07812 | 191.4 |
[M]- | 366.07922 | 191.4 |