CID 119613
27564-02-9
Structural Information
- Molecular Formula
- C23H25ClN3
- SMILES
- CC1(C2=C(C=CC(=C2)Cl)[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C
- InChI
- InChI=1S/C23H25ClN3/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25/h6-13,16H,5,15H2,1-4H3/q+1
- InChIKey
- AVROXQRZPSRNMK-UHFFFAOYSA-N
- Compound name
- 3-[4-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 379.18098 | 200.5 |
[M+Na]+ | 401.16292 | 212.6 |
[M-H]- | 377.16642 | 206.4 |
[M+NH4]+ | 396.20752 | 215.5 |
[M+K]+ | 417.13686 | 197.0 |
[M+H-H2O]+ | 361.17096 | 188.2 |
[M+HCOO]- | 423.17190 | 214.3 |
[M+CH3COO]- | 437.18755 | 227.0 |
[M+Na-2H]- | 399.14837 | 201.8 |
[M]+ | 378.17315 | 199.5 |
[M]- | 378.17425 | 199.5 |
Literature stripe
No literature data available for this compound.