CID 11971494
Brn 5594584
Structural Information
- Molecular Formula
- C15H14N4O2
- SMILES
- CC1=CC=C(C=C1)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C15H14N4O2/c1-11-2-4-12(5-3-11)16-9-18-10-17-14-7-6-13(19(20)21)8-15(14)18/h2-8,10,16H,9H2,1H3
- InChIKey
- AEZJLJOBJAUMSG-UHFFFAOYSA-N
- Compound name
- 4-methyl-N-[(6-nitrobenzimidazol-1-yl)methyl]aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 283.11894 | 161.0 |
[M+Na]+ | 305.10088 | 176.3 |
[M+NH4]+ | 300.14548 | 169.0 |
[M+K]+ | 321.07482 | 173.1 |
[M-H]- | 281.10438 | 166.6 |
[M+Na-2H]- | 303.08633 | 169.7 |
[M]+ | 282.11111 | 164.7 |
[M]- | 282.11221 | 164.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.