CID 19882956
73167-98-3
Structural Information
- Molecular Formula
- C31H41N9O5
- SMILES
- COC1=CC(=CC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3
- InChI
- InChI=1S/C31H41N9O5/c1-44-26-18-22(17-21-11-5-6-12-23(21)26)38-27(41)24(13-7-15-36-29(32)33)39-28(42)25(14-8-16-37-30(34)35)40-31(43)45-19-20-9-3-2-4-10-20/h2-6,9-12,17-18,24-25H,7-8,13-16,19H2,1H3,(H,38,41)(H,39,42)(H,40,43)(H4,32,33,36)(H4,34,35,37)
- InChIKey
- UGENMPCCAUJPMX-UHFFFAOYSA-N
- Compound name
- benzyl N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 620.33034 | 246.2 |
[M+Na]+ | 642.31228 | 248.8 |
[M-H]- | 618.31578 | 246.4 |
[M+NH4]+ | 637.35688 | 249.6 |
[M+K]+ | 658.28622 | 248.1 |
[M+H-H2O]+ | 602.32032 | 226.4 |
[M+HCOO]- | 664.32126 | 250.6 |
[M+CH3COO]- | 678.33691 | 291.0 |
[M+Na-2H]- | 640.29773 | 283.2 |
[M]+ | 619.32251 | 286.9 |
[M]- | 619.32361 | 286.9 |
Literature stripe
No literature data available for this compound.