CID 3683919
4-[(1,3-benzothiazol-2-yl)methyl]aniline
Structural Information
- Molecular Formula
- C14H12N2S
- SMILES
- C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)N
- InChI
- InChI=1S/C14H12N2S/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9,15H2
- InChIKey
- GUUPKXREMJGASF-UHFFFAOYSA-N
- Compound name
- 4-(1,3-benzothiazol-2-ylmethyl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.07939 | 150.2 |
[M+Na]+ | 263.06133 | 161.3 |
[M-H]- | 239.06483 | 157.2 |
[M+NH4]+ | 258.10593 | 169.9 |
[M+K]+ | 279.03527 | 155.2 |
[M+H-H2O]+ | 223.06937 | 143.3 |
[M+HCOO]- | 285.07031 | 171.0 |
[M+CH3COO]- | 299.08596 | 163.8 |
[M+Na-2H]- | 261.04678 | 155.0 |
[M]+ | 240.07156 | 152.6 |
[M]- | 240.07266 | 152.6 |