CID 24779676
2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
Structural Information
- Molecular Formula
- C19H14ClN7
- SMILES
- C1=CC=C(C=C1)NC2=NC(=NC3=C(C=NN32)C#N)NCC4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)
- InChIKey
- QCVULERVJOYHCP-UHFFFAOYSA-N
- Compound name
- 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 376.10718 | 187.9 |
[M+Na]+ | 398.08912 | 199.4 |
[M-H]- | 374.09262 | 190.1 |
[M+NH4]+ | 393.13372 | 195.2 |
[M+K]+ | 414.06306 | 188.7 |
[M+H-H2O]+ | 358.09716 | 168.8 |
[M+HCOO]- | 420.09810 | 201.1 |
[M+CH3COO]- | 434.11375 | 195.1 |
[M+Na-2H]- | 396.07457 | 192.9 |
[M]+ | 375.09935 | 184.8 |
[M]- | 375.10045 | 184.8 |