CID 137630045
W8kv1jy0op
Structural Information
- Molecular Formula
- C21H24N8
- SMILES
- CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CC[C@@H](C5)N)C
- InChI
- InChI=1S/C21H24N8/c1-13-4-6-14(7-5-13)19-16(10-25-27(19)2)18-17-20(28(3)26-18)23-12-24-21(17)29-9-8-15(22)11-29/h4-7,10,12,15H,8-9,11,22H2,1-3H3/t15-/m0/s1
- InChIKey
- RXDAAEYRXNNICB-HNNXBMFYSA-N
- Compound name
- (3S)-1-[1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]pyrrolidin-3-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 389.21968 | 195.0 |
[M+Na]+ | 411.20162 | 206.1 |
[M-H]- | 387.20512 | 202.4 |
[M+NH4]+ | 406.24622 | 203.3 |
[M+K]+ | 427.17556 | 198.3 |
[M+H-H2O]+ | 371.20966 | 183.1 |
[M+HCOO]- | 433.21060 | 211.2 |
[M+CH3COO]- | 447.22625 | 204.0 |
[M+Na-2H]- | 409.18707 | 190.3 |
[M]+ | 388.21185 | 196.3 |
[M]- | 388.21295 | 196.3 |
Literature stripe
Patent stripe
No patent data available for this compound.